TABLE 1.
Crystallographic data and refinement statistics
| RazKIN•GDP•Mg2+ | |
|---|---|
| Data collection | |
| Beamline | NSLSII 17-D-2 (FMX) |
| Wavelength (Å) | 0.9793 |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 39.4, 66.4, 73.7 |
| α, β, γ (°) | 90.0, 90.0, 90.0 |
| Resolution | 35–1.65 (1.68–1.65) |
| No. of unique reflections | 24,027 (1199) |
| Rmerge | 0.150 (4.545) |
| Rpim | 0.044 (1.388) |
| CC(1/2) | 0.998 (0.375) |
| /<σI> | 10.0 (1.1) |
| Redundancy | 12.6 (12.3) |
| Completeness (%)* | 100 (100) |
| Refinement | |
| Resolution (Å) | 35–1.65 |
| Rwork/Rfree | 16.9/23.7 |
| No. of atoms | 1478 |
| Protein | 1355 |
| Ligand/ion | 29 |
| Water | 94 |
| Average B-factor (Å2) | 31.5 |
| Protein | 34.8 |
| Ligand/ion | 24.2 |
| Water | 42.5 |
| Ramachandran plot | |
| Favored (%) | 98.2 |
| Allowed (%) | 1.8 |
| Outliers (%) | 0 |
| RMS deviation | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.65 |
| PDB ID | 9D8A |
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Data for highest resolution shell are shown in parenthesis. Rfree was computed for 5% of randomly selected reflections.
