Table 1. Data collection, phasing and refinement statistics.
| Native | Pt derivative | |
|---|---|---|
| ESRF beamline | ID14EH4 | ID23EH1 |
| Wavelength (Å) | 0.93222 | 1.0717 Å |
| Space group | P 32 2 1 | P 61 2 2 |
| Unit cell parameters (Å) | ||
| a = 83.48 | a = 83 | |
| b = 83.48 | b = 83 | |
| c = 64.71 | c = 110 | |
| Number of protein molecules per asymmetric unit | 2 | 2 |
| Resolution range (Å) | 36.1–2.7 | 43.69–4.0 |
| (2.8–2.7) | (4.2–4.0) | |
| Completeness (%) | 98.5 (99.9) | 99.9 (100.0) |
| I/σ(I) | 18.02 (1.24) | 11.5 (2.6) |
| No. of measured reflections | 51889 (5561) | 45757 (6834) |
| Redundancy | 7.1 (7.4) | 21.2 (23.0) |
| Anomalous multiplicity | 12.7 (13.0) | |
| RSYM (%) | 7.3 (262.6) | 14.1 (145.0) |
| CC1/2 (%) | 99.9 (52.7) | 100 (74.6) |
| Heavy atom sites | 2 | |
| FOM (after Phaser) | 0.24 | |
| FOM (after Resolve) | 0.58 | |
| Rwork/Rfree factor (%) | 22.23/27.01 | |
| No. of non hydrogen atoms | ||
| Macromolecules | 1063 | |
| Water | 4 | |
| Wilson B-factor (Å2) | 90.1 | |
| Average B-factor (Å2) | 126.6 | |
| RMSD | ||
| Bonds (Å) | 0.005 | |
| Angles (°) | 0.616 | |
| Ramachandran (%) | ||
| Favored region | 97.5 | |
| Allowed region | 2.5 | |
| Outliers region | 0.0 |