| D11-100K | D12-100K | D13-100K | D14-100K | D15-100K | D16-100K | D17-100K | D18-100K | D19-100K | D20-100K | |
|---|---|---|---|---|---|---|---|---|---|---|
| Data collection | ||||||||||
| Temperature (K) | 100 | |||||||||
| Accumulated dose (MGy) | 3.19 | 3.48 | 3.77 | 4.06 | 4.35 | 4.64 | 4.93 | 5.22 | 5.51 | 5.80 |
| ESRF beamline | ID29 | |||||||||
| Wavelength (Å) | 0.976 | |||||||||
| Space group | P212121 | |||||||||
| a, b, c (Å) | 51.28, 62.90, 70.48 | 51.30, 62.91, 70.49 | 51.32, 62.93, 70.50 | 51.33, 62.94, 70.51 | 51.35, 62.96, 70.51 | 51.36, 62.97, 70.52 | 51.33, 62.94, 70.51 | 51.39, 62.99, 70.53 | 51.40, 63.00, 70.53 | 51.41, 63.00, 70.53 |
| Resolution range† (Å) | 46.93–1.68 (1.72–1.68) | 46.94–1.70 (1.74–1.70) | 46.95–1.72 (1.76–1.72) | 46.95–1.74 (1.79–1.74) | 46.97–1.76 (1.81–1.76) | 46.97–1.78 (1.83–1.78) | 46.96–1.79 (1.84–1.79) | 46.99–1.80 (1.85–1.80) | 46.99–1.81 (1.86–1.81) | 46.99–1.82 (1.87–1.82) |
| Wilson B factor (Å2) | 34.4 | 34.9 | 35.4 | 35.8 | 36.2 | 36.6 | 37.1 | 37.6 | 38.2 | 38.7 |
| Unique reflections | 26603 (1935) | 25703 (1848) | 24856 (1814) | 24055 (1760) | 23260 (1697) | 22518 (1644) | 22113 (1613) | 21797 (1588) | 21457 (1562) | 21133 (1544) |
| Multiplicity | 7.0 (7.4) | 6.9 (7.4) | 6.9 (7.4) | 6.9 (7.4) | 6.8 (7.4) | 6.8 (7.4) | 6.8 (7.4) | 6.8 (7.4) | 6.8 (7.3) | 6.8 (7.3) |
| Completeness (%) | 99.9 (100.0) | 99.9 (99.9) | 99.9 (99.9) | 99.9 (100.0) | 99.8 (99.9) | 99.9 (100.0) | 99.8 (100.0) | 99.8 (99.9) | 99.9 (100.0) | 99.9 (100.00) |
| Mean I/σ(I) | 30.87 (2.09) | 31.11 (2.06) | 30.77 (2.20) | 31.25 (2.19) | 31.10 (2.24) | 31.16 (2.27) | 30.41 (2.17) | 29.48 (2.12) | 28.85 (2.08) | 28.23 (2.05) |
| R meas ‡ | 0.037 (1.079) | 0.037 (1.078) | 0.037 (1.068) | 0.037 (1.060) | 0.038 (1.030) | 0.038 (1.018) | 0.039 (1.066) | 0.040 (1.073) | 0.041 (1.072) | 0.042 (1.088) |
| CC1/2 | 1.0 (0.721) | 1.0 (0.760) | 1.0 (0.758) | 1.0 (0.745) | 1.0 (0.719) | 1.0 (0.775) | 1.0 (0.744) | 1.0 (0.767) | 1.0 (0.774) | 1.0 (0.726) |
| Refinement statistics | ||||||||||
| Resolution (Å) | 46.99–1.82 (1.87–1.82) | |||||||||
| R work | 0.154 (0.281) | |||||||||
| R free | 0.195 (0.345) | |||||||||
| No. of atoms | 2220 | |||||||||
| Average atomic B factor (Å2) | 33.9 | |||||||||
| R.m.s. deviations | ||||||||||
| Bond lengths (Å) | 0.009 | |||||||||
| Bond angles (°) | 1.38 | |||||||||
| PDB code | 6qq9 | |||||||||
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