Table 1.
Data collection and refinement statistics
| EMBL BW7B | ESRF ID29
|
|||
|---|---|---|---|---|
| Peak | Inflection | Remote | ||
| Resolution, Å | 30.0–2.11 | 37.0–2.6 | 37.0–2.6 | 37.0–2.6 |
| Wavelength, Å | 0.8456 | 1.7387 | 1.7404 | 0.9801 |
| Rmerge, % | 8.1 (48.9)* | 9.0 (30.5)† | 8.7 (31.9)† | 6.3 (14.5)† |
| Completeness, % | 99.7 (97.5) | 100 (98.8) | 100 (100) | 99.9 (100) |
| Anomalous completeness, % | 100 (98.7) | 100 (100) | 99.9 (100) | |
| Mosaicity, ° | 0.285 | 0.45 | 0.45 | 0.47 |
| Total reflections | 1533455 | 523166 | 521145 | 539921 |
| Independent reflections | 138692 | 74954 | 74583 | 74728 |
| Redundancy | 11 (3) | 7.0 (6.8) | 7.0 (6.8) | 7.2 (7.3) |
| Average I/σ(I) | 16 (2.8) | 6.7 (2.5) | 7.1 (2.4) | 8.8 (5.0) |
| Space group | I4122 | I4122 | I4122 | I4122 |
| Unit cell, Å | a = b = 187.0 | a = b = 187.5 | a = b = 187.5 | a = b = 187.5 |
| c = 274.9 | c = 274.7 | c = 274.7 | c = 274.7 | |
| Refinement | ||||
| Rgen/Rfree, % | 18.6/22.6 | |||
| rms deviation | ||||
| Bonds, Å | 0.010 | |||
| Angles, ° | 1.250 | |||
| Ramachandran plot | ||||
| Most favored, % | 93.2 | |||
| Additionally allowed, % | 6.8 | |||
ESRF, European Synchrotron Radiation Facility; EMBL, European Molecular Biology Laboratory Hamburg Outstation.
*
Outer shell statistics (2.15–2.11 Å) within parentheses.
†
Outer shell statistics (2.73–2.60 Å) within parentheses.