Table 2. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Structure | D07 | E01 | E05 | B06 | B04 | H04 | C11 | C08 |
|---|---|---|---|---|---|---|---|---|
| PDB code | 8s47 | 8s46 | 8s45 | 8s49 | 8s4a | 8s4c | 8s48 | 8s4b |
| Beamline | P13, PETRA III | MASSIF-3, ESRF | P13, PETRA III | MASSIF-3, ESRF | MASSIF-3, ESRF | MASSIF-3, ESRF | P13, PETRA III | P13, PETRA III |
| Wavelength (Å) | 0.97625 | 0.96770 | 0.97625 | 0.96770 | 0.96770 | 0.96770 | 0.97625 | 0.97625 |
| Space group | P212121 | P212121 | P212121 | P212121 | P212121 | P212121 | P212121 | P212121 |
| a, b, c (Å) | 44.22, 65.07, 130.33 | 39.79, 64.65, 130.00 | 41.75, 64.71, 129.04 | 41.66, 64.75, 129.06 | 41.70, 64.46, 128.69 | 43.74, 64.11, 129.79 | 41.33, 64.68, 128.65 | 41.49, 64.72, 128.39 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution range (Å) | 46.04–2.11 (2.16–2.11) | 45.84–1.99 (2.03–1.99) | 39.72–1.69 (1.71–1.69) | 45.71–1.70 (1.72–1.70) | 45.54–2.23 (2.30–2.23) | 45.61–1.80 (1.83–1.80) | 35.74–1.65 (1.67–1.65) | 45.58–2.15 (2.25–2.15) |
| Total reflections | 295034 | 194674 | 330217 | 311980 | 123142 | 288916 | 337480 | 149891 |
| Unique reflections | 41687 (2736) | 44268 (2726) | 74809 (2708) | 73647 (2829) | 31404 (2885) | 65236 (2875) | 79766 (2847) | 36215 (4603) |
| Multiplicity | 7.1 | 4.4 | 4.4 | 4.2 | 3.9 | 4.4 | 4.2 | 4.1 |
| Completeness (%) | 99.76 (99.45) | 99.64 (99.67) | 98.91 (97.10) | 99.24 (98.64) | 96.06 (95.72) | 99.81 (99.62) | 99.51 (98.44) | 99.80 (99.08) |
| Mean I/σ(I) | 10.08 (0.92) | 11.58 (0.71) | 13.10 (0.80) | 10.06 (0.98) | 8.04 (0.98) | 13.12 (0.85) | 10.42 (0.80) | 5.68 (1.26) |
| Wilson B factor (Å2) | 47.56 | 42.80 | 31.64 | 34.57 | 39.00 | 37.16 | 31.89 | 46.01 |
| R merge (%) | 10.8 (265.1) | 7.6 (258.9) | 5.0 (205.5) | 5.5 (204.6) | 12.9 (148.6) | 5.0 (173.9) | 5.5 (180.8) | 14.9 (136.5) |
| R meas † (%) | 11.7 (286.1) | 8.6 (293.3) | 5.7 (235.0) | 6.4 (232.9) | 14.9 (174.1) | 5.7 (197.1) | 6.3 (206.3) | 17.1 (157.3) |
| CC1/2 | 99.9 (50.0) | 99.9 (40.1) | 99.9 (52.1) | 99.8 (53.6) | 99.6 (37.0) | 99.8 (50.4) | 99.9 (55.8) | 99.3 (62.0) |
†
R meas is the redundancy-independent multiplicity-weighted R factor for comparing symmetry-related reflections (Diederichs & Karplus, 1997 ▸).