| Dark 293K | Light-293K D1 | Light-293K D2 | Light-293K D3 | Light-293K D4 | |
|---|---|---|---|---|---|
| Data collection | |||||
| Temperature (K) | 293 | ||||
| Accumulated dose (MGy) | 0.354 | 0.034 | 0.068 | 0.102 | 0.136 |
| ESRF beamline | ID30A-3 | ||||
| Wavelength (Å) | 0.968 | ||||
| Space group | P43212 | ||||
| a, b, c (Å) | 40.886, 40.886, 132.691 | 41.45, 41.45, 133.53 | 41.45, 41.45, 133.53 | 41.45, 41.45, 133.53 | 41.45, 41.45, 133.53 |
| Resolution range† (Å) | 39.07–2.08 (2.15–2.08) | 39.59–2.40 (2.50–2.40) | 39.59–2.60 (2.70–2.60) | 39.59–2.76 (2.86–2.76) | 39.59–2.78 (2.88–2.78) |
| Wilson B factor (Å2) | 43.1 | 52.0 | 59.6 | 63.0 | 67.7 |
| Unique reflections | 6924 (594) | 4926 (558) | 3897 (394) | 3275 (278) | 3217 (267) |
| Multiplicity | 8.56 (8.73) | 23.1 (23.5) | 23.1 (22.0) | 23.4 (21.1) | 23.4 (21.1) |
| Completeness (%) | 93.6 (87.4) | 98.0 (99.1) | 97.6 (99.0) | 97.4 (88.8) | 97.5 (86.4) |
| Mean I/σ(I) | 10.72 (1.73) | 17.64 (1.52) | 19.14 (1.69) | 19.69 (2.47) | 17.12 (1.72) |
| R meas ‡ | 0.145 (1.169) | 0.177 (2.108) | 0.160 (1.749) | 0.154 (1.208) | 0.184 (1.639) |
| CC1/2 | 0.999 (0.501) | 0.999 (0.726) | 0.999 (0.727) | 0.999 (0.760) | 0.999 (0.712) |
| Refinement statistics | |||||
| Resolution (Å) | 24.21–2.08 (2.14–2.08) | 39.59–2.40 (2.46–2.40) | |||
| R work | 0.247 (0.348) | 0.239 (0.322) | |||
| R free | 0.292 (0.338) | 0.286 (0.314) | |||
| No. of atoms | 956 | 1043 | |||
| Average atomic B factor (Å2) | 38.7 | 46.9 | |||
| R.m.s. deviations | |||||
| Bond lengths (Å) | 0.002 | 0.002 | |||
| Bond angles (°) | 1.24 | 1.47 | |||
| PDB code | 6qqj | 6qqk | |||
†
The resolution cutoff is based on CC1/2.
‡
R meas = R merge × [N/(N − 1)]1/2, where N is the data multiplicity.