Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| SeMet apoenzyme (form I) | ||||
|---|---|---|---|---|
| Ternary complex (form II) | Peak (λ1) | Inflection (λ2) | Remote (λ3) | |
| Space group | P1 | P21 | ||
| Unit-cell parameters | ||||
| a (Å) | 66.5 | 66.0 | ||
| b (Å) | 75.2 | 119.6 | ||
| c (Å) | 77.6 | 86.2 | ||
| α (°) | 109.1 | 90.0 | ||
| β (°) | 107.5 | 96.3 | ||
| γ (°) | 95.9 | 90.0 | ||
| Matthews coefficient (Å3 Da−1) | 2.56 | 2.54 | ||
| Molecules per ASU | 4 | 4 | ||
| Temperature (K) | 100 | 100 | ||
| X-ray source | Rigaku MM007 | ESRF ID29 | ||
| Detector | MAR 345 | ADSC Q315 | ||
| Resolution (Å) | 21.7–1.86 (1.96–1.86) | 38.0–2.70 (2.85–2.70) | ||
| Energy (keV) | 8.041 (Cu Kα) | 12.660 | 12.658 | 12.710 |
| Mosaicity (°) | 0.75 | 0.8 | 0.8 | 0.8 |
| Unique observations | 101260 (12178) | 36498 (5339) | 36474 (5340) | 36512 (5346) |
| Rmerge† (%) | 0.04 (0.21) | 0.12 (0.37) | 0.17 (0.53) | 0.14 (0.57) |
| Completeness (%) | 90.7 (74.5) | 99.7 (100) | 99.6 (100) | 99.7 (100) |
| Anomalous completeness (%) | — | 97.0 (98.3) | 96.9 (99.0) | 97.2 (98.9) |
| Multiplicity | 2.4 (2.3) | 3.5 (3.6) | 3.6 (3.7) | 3.6 (3.7) |
| Anomalous multiplicity | — | 1.8 (1.8) | 1.8 (1.8) | 1.8 (1.8) |
| Mean (I)/σ(I) | 14.9 (4.6) | 10.6 (3.0) | 8.2 (2.1) | 9.2 (1.8) |
†
R
merge = 
, where 〈I(hkl)〉 is the mean intensity of the reflection.