Table 1.
Data collection and refinement statistics.
| Data collection | ||
| Space group | P 1 21 1 | |
| Cell dimensions | ||
| a, b, c (Å) | 56.6 104.3 60.6 | |
| α, β, γ (°) | 90 112.0 90 | |
| Resolution (Å) | 49.44–2.6 (2.74–2.6) | |
| Rpim (%) | 7.3 (39.5) | |
| Wilson B-factor (Å2) | 39.0 | |
| I/σ(I) | 9.0 (2.3) | |
| CC1/2 | 99.1 (83.5) | |
| Completeness (%) | 99.3 (98.3) | |
| Redundancy | 6.6 (6.2) | |
| Wavelength (Å) | 1.033 | |
| Refinement | ||
| No. reflections | 19931 (1993) | |
| Rwork (%) | 19.3 (29.6) | |
| Rfree (%)* | 24.1 (40.6) | |
| No. atoms | 3970 | |
| protein | 3832 | |
| ligand/ion | 60 | |
| Protein residues | 501 | |
| B-factors (Å2) | 50.4 | |
| R.m.s. deviations | ||
| bond lengths (Å) | 0.002 | |
| bond angles (°) | 0.60 | |
| Ramachandran plot | ||
| allowed (%) | 99.8 |
*for 5% of all data. Statistics for the highest-resolution shell are shown in parentheses.