Table I. Data collection, phasing and refinement statistics.
| Native | PtCl4 derivative (I) | PtCl4 derivative (II) | OsCl6 derivative | |
|---|---|---|---|---|
| Data collection | ||||
| Resolution (Å) | 2.6 (2.74–2.60) | 3.50 (3.69–3.50) | 3.50 (3.69–3.50) | 2.8 (2.95–2.80) |
| Completeness | 0.996 (1.000) | 0.991 (0.986) | 1.000 (1.000) | 0.965 (0.817) |
| Multiplicity | 3.8 (3.8) | 6.7 (6.8) | 14.9 (15.5) | 6.0 (3.1) |
| I/σ | 6.0 (2.0) | 5.5 (2.3) | 3.4 (2.0) | 4.9 (3.9) |
| Rmerge | 0.090 (0.32) | 0.083 (0.326) | 0.102 (0.330) | 0.093 (0.168) |
| Ranomalous | 0.065 (0.148) | 0.063 (0.107) | 0.043 (0.147) | |
| Phasing | ||||
| Overall FOM | Overall 0.33 | At 4.6 Å: 0.71 | At 3.4 Å: 0.28 | At 2.9 Å: 0.06 |
| FOM after RESOLVE | Overall 0.54 | At 4.6 Å: 0.89 | At 3.3 Å: 0.60 | At 2.6 Å: 0.15 |
| Refinement | ||||
| No. of reflections working set | 6962 | |||
| Rcryst | 0.176 (0.225) | |||
| Rfree | 0.244 (0.319) | |||
| Average B factor (Å2) | 43.5 | |||
| R.m.s. bonds (Å) | 0.043 | |||
| R.m.s. angles (°) | 3.3 |
A test set containing 5% of the reflections was used throughout the refinement. Values for the highest resolution bin are given in parentheses.