Table 1. Crystallographic data statistics for native and MAD data sets.
Values in parentheses are for the highest resolution shell.
| Native | Inflection | Peak | Remote | |
|---|---|---|---|---|
| Wavelength (Å) | 1.07716 | 0.97973 | 0.97963 | 0.95372 |
| Space group | C2 | C2 | C2 | C2 |
| Unit-cell parameters (Å, °) | a = 90.90, b = 67.18, c = 94.08, β = 99.96 | a = 91.00, b = 67.28, c = 94.03, β = 100.37 | a = 91.28 b = 67.41, c = 94.28, β = 100.33 | a = 91.12, b = 67.36, c = 94.02, β = 100.47 |
| Resolution (Å) | 19.83–1.90 (2.00–1.90) | 19.36–2.53 (2.67–2.53) | 19.40–2.58 (2.72–2.56) | 19.37–2.50 (2.64–2.50) |
| No. of observed reflections | 326294 (47355) | 131355 (13149) | 130106 (15645) | 141572 (16338) |
| Data-collection range (°) | 360 | 360 | 360 | 360 |
| Oscillation per image (°) | 0.5 | 0.5 | 0.5 | 0.5 |
| Unique reflections | 43472 (6235) | 18667 (2623) | 17815 (2560) | 19471 (2786) |
| Completeness (%) | 98.8 (97.8) | 99.2 (96.5) | 99.7 (99.5) | 99.6 (98.9) |
| Average I/σ(I) | 16.3 (2.1) | 18.9 (2.0) | 18.4 (2.0) | 18.3 (2.2) |
| Multiplicity | 7.5 (7.6) | 7.0 (5.0) | 7.3 (6.1) | 7.3 (5.9) |
| Rmerge (%) | 9.7 (100.2) | 8.6 (68.3) | 7.9 (81.3) | 8.0 (76.6) |
| Rmeas (%) | 10.4 (109.3) | 9.2 (76.4) | 8.5 (88.9) | 8.6 (84.2) |
| Rp.i.m. (%) | 3.8 (39.5) | 3.4 (33.4) | 3.1 (35.5) | 3.2 (34.5) |
| Anomalous completeness (%) | 98.5 (93.0) | 99.5 (98.5) | 99.4 (97.5) | |
| Ranom (%) | 3.5 (39.7) | 5.0 (37.8) | 4.3 (38.2) |