Table 1.
Data collection and refinement statistics.
| X-ray dataset | Native | Pt derivative |
|---|---|---|
| Wavelength (Å) | 1.033 | 1.072 (peak) |
| Resolution range (Å) | 1.94 (1.98 – 1.94)* | 2.8 (2.85 – 2.8) |
| Space group | P21 | |
| Unit cell parameters | a=41.75 Å, b=124.04 Å, c=88.96 Å, β=89.96° | a=41.72 Å, b=123.58 Å, c=88.75 Å, β=90.21° |
| Completeness (%) | 93 (76) | 99.7 (99.7) |
| Redundancy | 3.6 (3.6) | 7.0 (7.1) |
| Mean I/sigma(I) | 11.9 (2.0) | 19.6 (5.0) |
| R-merge | 0.097 (0.54) | 0.096 (0.43) |
| Refinement using the native dataset | ||
| Number of reflections | 61875 | |
| Number of reflections used for R-free | 2355 | |
| Number of non-hydrogen atoms | 7033 | |
| Number of water molecules | 620 | |
| R-work | 0.172 | |
| R-free | 0.205 | |
| RMS bonds (Å) | 0.007 | |
| RMS angles (°) | 0.85 | |
| Ramachandran favored (%) | 98.8 | |
| Ramachandran outliers | 0 | |
| Rotamer outliers (%) | 0.15 | |
| Average B-factor (Å2) | 31.4 | |
*
Statistics for the highest-resolution shell are shown in parentheses.