PMC:2724173 / 23894-26692 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/2724173","sourcedb":"PMC","sourceid":"2724173","source_url":"https://www.ncbi.nlm.nih.gov/pmc/2724173","text":"Table 1 Statistics for crystallographic data collection and structure refinement (values in parentheses are for the highest resolution shell)\nMxiCNΔ73 methylated MxiCNΔ73 methylated MxiCFL MxiCFL SeMet\nA. Data collection Peak Inflexion Rm1 Rm2\nNo. crystals used 1 1 1 1\nX-ray source ESRF ID29 Diamond I03 ESRF ID29 ESRF ID29\nDetector ADSC CCD scanner ADSC CCD scanner ADSC CCD scanner ADSC CCD scanner\nWavelength (Å) 0.9756 0.9757 0.9760 0.9799 0.9801 1.033 0.9756\nSpace group (Z) P222 (8) P212121 (12) P43212 (16) P43212 (8)\nUnit-cell dimensions\n a (Å) 83.48 89.31 91.37 85.54\n b (Å) 83.45 102.97 91.37 85.54\n c (Å) 117.07 123.57 215.84 118.2\nResolution limits (Å) 42.0–2.5 (2.64–2.50) 50.4–2.85 (3.00–2.85) 38.6–3.0 (3.16–3.00) 33.0–3.5 (3.69–3.50) 30.3–3.6 (3.79–3.60) 30.3–3.6 (3.79–3.60) 32.22–3.7 (3.90–3.70)\nMeasured reflections 100,493 (14,918) 84,697 (9,365) 129,136 (18,976) 49,227 (7385) 69,519 (10,267) 69,324 (10,270) 42,578 (6366)\nUnique reflections 28,754 (4173) 26,409 (3546) 18,797 (2675) 5964 (848) 5539 (773) 5525 (773) 4982 (714)\nCompleteness (%) 99.4 (99.9) 98.6 (93.3) 98.5 (98.4) 99.9 (99.9) 99.6 (99.9) 99.8 (99.9) 98.3 (99.3)\nMultiplicity 3.5 (3.6) 3.2 (2.6) 6.9 (7.1) 8.3 (8.7) 12.6 (13.3) 12.5 (13.3) 8.5 (8.9)\nR merge 0.068 (0.518) 0.112 (0.490) 0.072 (0.434) 0.136 (0.453) 0.135 (0.526) 0.142 (0.533) 0.140 (0.487)\nR pim 0.035 (0.269) 0.060 (0.283) 0.027 (0.164) 0.047 (0.153) 0.039 (0.144) 0.040 (0.145) 0.047 (0.160)\nAverage I/σ(I) 14.2 (2.7) 10.7 (2.4) 14.0 (4.5) 17.5 (4.9) 20.3 (5.3) 20.4 (5.4) 16.3(4.5)\nWilson B-value (Å2) 59.3 65.5 171 79.5 59.0 55.3 62.7\nB. Refinement C. MAD Phasing statistics\nResolution Range (Å) 42.0–2.5 (2.65–2.50) 50.4–2.85 (3.00–2.85) 38.6–3.0 (3.18–3.0) SHARP FOMacentrics: 0.945 (32–14 Å); 0.491 (32–3.5 Å); 0.174 (3.6–3.5 Å)\nWorking set reflections 23,449 (3,933) 25,054 (3,693) 17,728 (2,762) SHARP FOMcentrics: 0.789 (32–14 Å); 0.395 (32–3.5 Å); 0.127 (3.6–3.5 Å)\nFree set reflections 1259 (217) 1314 (211) 1014 (154)\nR 0.211 (0.237) 0.244 (0.245) 0.246 (0.306) SHARP phasing power (iso/ano):\nR free 0.265 (0.278) 0.273 (0.295) 0.270 (0.375) Peak: (-)/1.3; Inflexion: 1.3/0.1; Rm1:0.4/0.9;Rm2:0.3/0.6\nResidues A/B:64-355 A:73-355 A/B:73-355 Solvent flattened FOMoverall: 0.897 (32–8 Å); 0.870 (32–3.5 Å); 0.799 (3.6–3.5 Å)\nB:73-355\nC:72-352\nProtein atoms 4776 6967 4750\nWater molecules 191 135 13\nr.m.s.d. from ideal\n Bond lengths (Å) 0.006 0.006 0.005\n Bond angles (deg.) 0.935 0.821 0.773\nMean protein B-factor (Å2) 62.8 60.0 140\nRamachandran plot (non-Gly and Pro), residues in\n Favored regions (%) 94.4 95.8 92.2\n Allowed regions (%) 97.6 99.5 98.4\nPDB ID 2VJ4 2VIX 2VJ5","divisions":[{"label":"label","span":{"begin":0,"end":7}},{"label":"caption","span":{"begin":9,"end":142}},{"label":"p","span":{"begin":9,"end":142}},{"label":"tr","span":{"begin":143,"end":205}},{"label":"th","span":{"begin":143,"end":162}},{"label":"th","span":{"begin":164,"end":183}},{"label":"th","span":{"begin":185,"end":191}},{"label":"th","span":{"begin":193,"end":205}},{"label":"tr","span":{"begin":206,"end":254}},{"label":"td","span":{"begin":206,"end":224}},{"label":"td","span":{"begin":229,"end":233}},{"label":"td","span":{"begin":235,"end":244}},{"label":"td","span":{"begin":246,"end":249}},{"label":"td","span":{"begin":251,"end":254}},{"label":"tr","span":{"begin":255,"end":284}},{"label":"td","span":{"begin":255,"end":272}},{"label":"td","span":{"begin":274,"end":275}},{"label":"td","span":{"begin":277,"end":278}},{"label":"td","span":{"begin":280,"end":281}},{"label":"td","span":{"begin":283,"end":284}},{"label":"tr","span":{"begin":285,"end":343}},{"label":"td","span":{"begin":285,"end":297}},{"label":"td","span":{"begin":299,"end":308}},{"label":"td","span":{"begin":310,"end":321}},{"label":"td","span":{"begin":323,"end":332}},{"label":"td","span":{"begin":334,"end":343}},{"label":"tr","span":{"begin":344,"end":424}},{"label":"td","span":{"begin":344,"end":352}},{"label":"td","span":{"begin":354,"end":370}},{"label":"td","span":{"begin":372,"end":388}},{"label":"td","span":{"begin":390,"end":406}},{"label":"td","span":{"begin":408,"end":424}},{"label":"tr","span":{"begin":425,"end":494}},{"label":"td","span":{"begin":425,"end":439}},{"label":"td","span":{"begin":441,"end":447}},{"label":"td","span":{"begin":449,"end":455}},{"label":"td","span":{"begin":457,"end":463}},{"label":"td","span":{"begin":465,"end":471}},{"label":"td","span":{"begin":473,"end":479}},{"label":"td","span":{"begin":481,"end":486}},{"label":"td","span":{"begin":488,"end":494}},{"label":"tr","span":{"begin":495,"end":559}},{"label":"td","span":{"begin":495,"end":510}},{"label":"td","span":{"begin":512,"end":520}},{"label":"td","span":{"begin":522,"end":534}},{"label":"td","span":{"begin":536,"end":547}},{"label":"td","span":{"begin":549,"end":559}},{"label":"tr","span":{"begin":560,"end":580}},{"label":"td","span":{"begin":560,"end":580}},{"label":"tr","span":{"begin":581,"end":615}},{"label":"td","span":{"begin":581,"end":587}},{"label":"td","span":{"begin":589,"end":594}},{"label":"td","span":{"begin":596,"end":601}},{"label":"td","span":{"begin":603,"end":608}},{"label":"td","span":{"begin":610,"end":615}},{"label":"tr","span":{"begin":616,"end":651}},{"label":"td","span":{"begin":616,"end":622}},{"label":"td","span":{"begin":624,"end":629}},{"label":"td","span":{"begin":631,"end":637}},{"label":"td","span":{"begin":639,"end":644}},{"label":"td","span":{"begin":646,"end":651}},{"label":"tr","span":{"begin":652,"end":689}},{"label":"td","span":{"begin":652,"end":658}},{"label":"td","span":{"begin":660,"end":666}},{"label":"td","span":{"begin":668,"end":674}},{"label":"td","span":{"begin":676,"end":682}},{"label":"td","span":{"begin":684,"end":689}},{"label":"tr","span":{"begin":690,"end":867}},{"label":"td","span":{"begin":690,"end":711}},{"label":"td","span":{"begin":713,"end":733}},{"label":"td","span":{"begin":735,"end":756}},{"label":"td","span":{"begin":758,"end":778}},{"label":"td","span":{"begin":780,"end":800}},{"label":"td","span":{"begin":802,"end":822}},{"label":"td","span":{"begin":824,"end":844}},{"label":"td","span":{"begin":846,"end":867}},{"label":"tr","span":{"begin":868,"end":1004}},{"label":"td","span":{"begin":868,"end":888}},{"label":"td","span":{"begin":890,"end":906}},{"label":"td","span":{"begin":908,"end":922}},{"label":"td","span":{"begin":924,"end":940}},{"label":"td","span":{"begin":942,"end":955}},{"label":"td","span":{"begin":957,"end":972}},{"label":"td","span":{"begin":974,"end":989}},{"label":"td","span":{"begin":991,"end":1004}},{"label":"tr","span":{"begin":1005,"end":1116}},{"label":"td","span":{"begin":1005,"end":1023}},{"label":"td","span":{"begin":1025,"end":1038}},{"label":"td","span":{"begin":1040,"end":1053}},{"label":"td","span":{"begin":1055,"end":1068}},{"label":"td","span":{"begin":1070,"end":1080}},{"label":"td","span":{"begin":1082,"end":1092}},{"label":"td","span":{"begin":1094,"end":1104}},{"label":"td","span":{"begin":1106,"end":1116}},{"label":"tr","span":{"begin":1117,"end":1224}},{"label":"td","span":{"begin":1117,"end":1133}},{"label":"td","span":{"begin":1135,"end":1146}},{"label":"td","span":{"begin":1148,"end":1159}},{"label":"td","span":{"begin":1161,"end":1172}},{"label":"td","span":{"begin":1174,"end":1185}},{"label":"td","span":{"begin":1187,"end":1198}},{"label":"td","span":{"begin":1200,"end":1211}},{"label":"td","span":{"begin":1213,"end":1224}},{"label":"tr","span":{"begin":1225,"end":1318}},{"label":"td","span":{"begin":1225,"end":1237}},{"label":"td","span":{"begin":1239,"end":1248}},{"label":"td","span":{"begin":1250,"end":1259}},{"label":"td","span":{"begin":1261,"end":1270}},{"label":"td","span":{"begin":1272,"end":1281}},{"label":"td","span":{"begin":1283,"end":1294}},{"label":"td","span":{"begin":1296,"end":1307}},{"label":"td","span":{"begin":1309,"end":1318}},{"label":"tr","span":{"begin":1319,"end":1431}},{"label":"td","span":{"begin":1319,"end":1327}},{"label":"td","span":{"begin":1328,"end":1341}},{"label":"td","span":{"begin":1343,"end":1356}},{"label":"td","span":{"begin":1358,"end":1371}},{"label":"td","span":{"begin":1373,"end":1386}},{"label":"td","span":{"begin":1388,"end":1401}},{"label":"td","span":{"begin":1403,"end":1416}},{"label":"td","span":{"begin":1418,"end":1431}},{"label":"tr","span":{"begin":1432,"end":1542}},{"label":"td","span":{"begin":1432,"end":1438}},{"label":"td","span":{"begin":1439,"end":1452}},{"label":"td","span":{"begin":1454,"end":1467}},{"label":"td","span":{"begin":1469,"end":1482}},{"label":"td","span":{"begin":1484,"end":1497}},{"label":"td","span":{"begin":1499,"end":1512}},{"label":"td","span":{"begin":1514,"end":1527}},{"label":"td","span":{"begin":1529,"end":1542}},{"label":"tr","span":{"begin":1543,"end":1640}},{"label":"td","span":{"begin":1543,"end":1557}},{"label":"td","span":{"begin":1559,"end":1569}},{"label":"td","span":{"begin":1571,"end":1581}},{"label":"td","span":{"begin":1583,"end":1593}},{"label":"td","span":{"begin":1595,"end":1605}},{"label":"td","span":{"begin":1607,"end":1617}},{"label":"td","span":{"begin":1619,"end":1629}},{"label":"td","span":{"begin":1631,"end":1640}},{"label":"tr","span":{"begin":1641,"end":1701}},{"label":"td","span":{"begin":1641,"end":1660}},{"label":"td","span":{"begin":1662,"end":1666}},{"label":"td","span":{"begin":1668,"end":1672}},{"label":"td","span":{"begin":1674,"end":1677}},{"label":"td","span":{"begin":1679,"end":1683}},{"label":"td","span":{"begin":1685,"end":1689}},{"label":"td","span":{"begin":1691,"end":1695}},{"label":"td","span":{"begin":1697,"end":1701}},{"label":"tr","span":{"begin":1702,"end":1742}},{"label":"td","span":{"begin":1702,"end":1715}},{"label":"td","span":{"begin":1717,"end":1742}},{"label":"tr","span":{"begin":1743,"end":1903}},{"label":"td","span":{"begin":1743,"end":1763}},{"label":"td","span":{"begin":1765,"end":1785}},{"label":"td","span":{"begin":1787,"end":1808}},{"label":"td","span":{"begin":1810,"end":1829}},{"label":"td","span":{"begin":1831,"end":1903}},{"label":"tr","span":{"begin":1904,"end":2048}},{"label":"td","span":{"begin":1904,"end":1927}},{"label":"td","span":{"begin":1929,"end":1943}},{"label":"td","span":{"begin":1945,"end":1959}},{"label":"td","span":{"begin":1961,"end":1975}},{"label":"td","span":{"begin":1977,"end":2048}},{"label":"tr","span":{"begin":2049,"end":2105}},{"label":"td","span":{"begin":2049,"end":2069}},{"label":"td","span":{"begin":2071,"end":2081}},{"label":"td","span":{"begin":2083,"end":2093}},{"label":"td","span":{"begin":2095,"end":2105}},{"label":"tr","span":{"begin":2106,"end":2184}},{"label":"td","span":{"begin":2106,"end":2108}},{"label":"td","span":{"begin":2109,"end":2122}},{"label":"td","span":{"begin":2124,"end":2137}},{"label":"td","span":{"begin":2139,"end":2152}},{"label":"td","span":{"begin":2154,"end":2184}},{"label":"tr","span":{"begin":2185,"end":2296}},{"label":"td","span":{"begin":2185,"end":2192}},{"label":"td","span":{"begin":2193,"end":2206}},{"label":"td","span":{"begin":2208,"end":2221}},{"label":"td","span":{"begin":2223,"end":2236}},{"label":"td","span":{"begin":2238,"end":2296}},{"label":"tr","span":{"begin":2297,"end":2422}},{"label":"td","span":{"begin":2297,"end":2305}},{"label":"td","span":{"begin":2307,"end":2317}},{"label":"td","span":{"begin":2319,"end":2327}},{"label":"td","span":{"begin":2329,"end":2339}},{"label":"td","span":{"begin":2341,"end":2422}},{"label":"tr","span":{"begin":2423,"end":2431}},{"label":"td","span":{"begin":2423,"end":2431}},{"label":"tr","span":{"begin":2432,"end":2440}},{"label":"td","span":{"begin":2432,"end":2440}},{"label":"tr","span":{"begin":2441,"end":2472}},{"label":"td","span":{"begin":2441,"end":2454}},{"label":"td","span":{"begin":2456,"end":2460}},{"label":"td","span":{"begin":2462,"end":2466}},{"label":"td","span":{"begin":2468,"end":2472}},{"label":"tr","span":{"begin":2473,"end":2502}},{"label":"td","span":{"begin":2473,"end":2488}},{"label":"td","span":{"begin":2490,"end":2493}},{"label":"td","span":{"begin":2495,"end":2498}},{"label":"td","span":{"begin":2500,"end":2502}},{"label":"tr","span":{"begin":2503,"end":2522}},{"label":"td","span":{"begin":2503,"end":2522}},{"label":"tr","span":{"begin":2523,"end":2561}},{"label":"td","span":{"begin":2523,"end":2540}},{"label":"td","span":{"begin":2542,"end":2547}},{"label":"td","span":{"begin":2549,"end":2554}},{"label":"td","span":{"begin":2556,"end":2561}},{"label":"tr","span":{"begin":2562,"end":2602}},{"label":"td","span":{"begin":2562,"end":2581}},{"label":"td","span":{"begin":2583,"end":2588}},{"label":"td","span":{"begin":2590,"end":2595}},{"label":"td","span":{"begin":2597,"end":2602}},{"label":"tr","span":{"begin":2603,"end":2646}},{"label":"td","span":{"begin":2603,"end":2629}},{"label":"td","span":{"begin":2631,"end":2635}},{"label":"td","span":{"begin":2637,"end":2641}},{"label":"td","span":{"begin":2643,"end":2646}},{"label":"tr","span":{"begin":2647,"end":2695}},{"label":"td","span":{"begin":2647,"end":2695}},{"label":"tr","span":{"begin":2696,"end":2734}},{"label":"td","span":{"begin":2696,"end":2716}},{"label":"td","span":{"begin":2718,"end":2722}},{"label":"td","span":{"begin":2724,"end":2728}},{"label":"td","span":{"begin":2730,"end":2734}},{"label":"tr","span":{"begin":2735,"end":2773}},{"label":"td","span":{"begin":2735,"end":2755}},{"label":"td","span":{"begin":2757,"end":2761}},{"label":"td","span":{"begin":2763,"end":2767}},{"label":"td","span":{"begin":2769,"end":2773}},{"label":"td","span":{"begin":2774,"end":2780}},{"label":"td","span":{"begin":2782,"end":2786}},{"label":"td","span":{"begin":2788,"end":2792}}],"tracks":[]}