Table 1. Crystallographic data collection and refinement statistics.
Data collection | |
Space group | P21 |
Cell dimensions, a, b, c, (Å) | 109.8, 83.2, 116.0, β=94° |
Resolution (Å) | 58.8–2.7 |
Rsym (%) | 9 (32) |
I/σI | 7.9 (3.2) |
Completeness (%) | 98.5 (98.5) |
Redundancy | 3.2 |
Refinement | |
Reflections | 56 524 |
Rwork/Rfree | 0.24/0.29 |
RMSD | |
Bond length | 0.003 |
Bond angle | 0.914 |
No. of atoms | |
Protein | 12 500 |
Ligand | 1554 |
Water | 504 |
Overall B factor | 39 |