Crystallographic data collection and structure refinement statistics
| . | K2PtCl4-soaked . | Native . |
|---|---|---|
| Data collection | ||
| Beamline | Diamond I02 | Diamond I04-1 |
| Wavelength, Å | 0.97 | 0.92 |
| Space group | P 31 2 1 | P 31 2 1 |
| Cell dimensions, Å, ° | 77.6, 77.6, 69.2 | 77.1, 77.1, 69.2 |
| 90, 90, 120 | 90, 90, 120 | |
| Resolution, Å(high resolution) | 69.2-2.91(2.99-2.91) | 34.7-1.93(2.00-1.93) |
| Rmerge | 10.0 (92.3) | 5.1 (33.0) |
| I/σ (I) | 29.2 (5.2) | 11.3 (2.1) |
| Completeness (%) | 99.5 (99.2) | 93.7 (69.2) |
| Average redundancy | 26.9 (28.6) | 4.1 (2.7) |
| Vm, Å3/Da | 4.3 | 4.2 |
| Solvent, % | 71.4 | 70.9 |
| Refinement | ||
| Unique reflections | 17163 | |
| Rwork/Rfree | 0.18/0.22 | |
| Geometric deviations | ||
| Bonds, Å/Angles, ° | 0.017/2.02 | |
| No. of atoms | 1104 | |
| Protein | 952 | |
| Water | 75 | |
| Sugar | 39 | |
| GSH | 20 | |
| Glycerol | 18 | |
| B factors, Å | ||
| Protein | 41 | |
| Water | 51.8 | |
| Sugar | 69.6 | |
| GSH | 63.6 | |
| Glycerol | 74.3 | |
| Ramachandran | ||
| Allowed/disallowed, % | 100/0 | |
| Molprobity score/centile | 3.52/100 | |
| PDB code | 4CCV |
| . | K2PtCl4-soaked . | Native . |
|---|---|---|
| Data collection | ||
| Beamline | Diamond I02 | Diamond I04-1 |
| Wavelength, Å | 0.97 | 0.92 |
| Space group | P 31 2 1 | P 31 2 1 |
| Cell dimensions, Å, ° | 77.6, 77.6, 69.2 | 77.1, 77.1, 69.2 |
| 90, 90, 120 | 90, 90, 120 | |
| Resolution, Å(high resolution) | 69.2-2.91(2.99-2.91) | 34.7-1.93(2.00-1.93) |
| Rmerge | 10.0 (92.3) | 5.1 (33.0) |
| I/σ (I) | 29.2 (5.2) | 11.3 (2.1) |
| Completeness (%) | 99.5 (99.2) | 93.7 (69.2) |
| Average redundancy | 26.9 (28.6) | 4.1 (2.7) |
| Vm, Å3/Da | 4.3 | 4.2 |
| Solvent, % | 71.4 | 70.9 |
| Refinement | ||
| Unique reflections | 17163 | |
| Rwork/Rfree | 0.18/0.22 | |
| Geometric deviations | ||
| Bonds, Å/Angles, ° | 0.017/2.02 | |
| No. of atoms | 1104 | |
| Protein | 952 | |
| Water | 75 | |
| Sugar | 39 | |
| GSH | 20 | |
| Glycerol | 18 | |
| B factors, Å | ||
| Protein | 41 | |
| Water | 51.8 | |
| Sugar | 69.6 | |
| GSH | 63.6 | |
| Glycerol | 74.3 | |
| Ramachandran | ||
| Allowed/disallowed, % | 100/0 | |
| Molprobity score/centile | 3.52/100 | |
| PDB code | 4CCV |
Values in parentheses refer to the highest resolution shell.