Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| DR6 | Lysozyme | StyA1 | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Native | HMT | TPT | TaB | TaB | |||||
| SIRAS | SIRAS | MAD | W peak | Ta peak | Br peak | Ta peak | |||
| Peak | Inflection point | Remote | |||||||
| Data-collection temperature (K) | 100 | ||||||||
| Wavelength () | 1.54 | 1.54 | 1.21461 | 1.21506 | 1.21340 | 1.21471 | 1.25496 | 0.91977 | 1.2250 |
| Resolution limit () | 3.3 (3.483.30) | 3.0 (3.163.00) | 2.9 (3.062.90) | 2.9 (3.062.90) | 2.9 (3.062.90) | 1.9 (2.001.90) | 1.8 (1.901.80) | 1.8 (1.901.80) | 2.4 (2.472.41) |
| Space group | P6122 | P6122 | P21 | ||||||
| Unit-cell parameters | |||||||||
| a () | 77.88 | 77.34 | 77.27 | 77.24 | 77.27 | 86.51 | 86.35 | 86.39 | 61.67 |
| b () | 78.62 | ||||||||
| c () | 183.70 | 184.64 | 184.71 | 184.64 | 184.68 | 68.22 | 68.86 | 68.87 | 75.36 |
| () | 107.52 | ||||||||
| Completeness (%) | 99.9 (100.0) | 99.7 (99.6) | 99.8 (99.8) | 99.3 (99.8) | 99.8 (99.8) | 100.0 (100.0) | 98.5 (97.1) | 99.5 (99.0) | 99.2 (96.3) |
| Anomalous completeness (%) | 100.0 (100.0) | 99.9 (100.0) | 99.4 (100.0) | 99.6 (100.0) | 100.0 (100.0) | 98.9 (97.6) | 99.7 (99.3) | 98.1 (89.4) | |
| R merge (%) | 18.2 (40.1) | 10.4 (34.2) | 7.8 (30.7) | 6.5 (24.2) | 8.6 (35.3) | 8.0 (39.4) | 6.0 (31.2) | 6.6 (38.2) | 8.8 (53.3) |
| R p.i.m. (%) | 6.9 (14.3) | 8.2 (27.1) | 5.6 (22.6) | 4.7 (17.7) | 6.2 (25.9) | 3.3 (16.2) | 2.7 (14.2) | 3.0 (17.3) | 7.3 (33.6) |
| I/(I) | 10.9 (5.2) | 12.2 (3.9) | 14.6 (4.5) | 16.9 (5.7) | 13.3 (4.0) | 20.2 (6.1) | 25.9 (6.6) | 23.4 (6.0) | 9.67 (1.67) |
| Multiplicity | 7.7 (8.7) | 4.5 (4.7) | 5.0 (5.2) | 5.0 (5.2) | 5.0 (5.2) | 12.8 (12.9) | 10.6 (10.8) | 10.7 (10.9) | 2.4 (2.0) |
| CCanom † | 0.144 | 0.858 | 0.679 | 0.339 | 0.715 | 0.886 | 0.490 | 0.732 | |
†
Anomalous difference correlation between half-sets computed in SCALA (Evans, 2006 ▶; not available for the native DR6 data set).