Table I.
Parameter | Value | |
Space group | P212121 | |
Unit cell dimensions (Å) | 51.232, 62.851, 65.934 | |
Data collection | Resolution (Å) | 40–2.49 (2.86–2.49) |
Unique reflections | 7,814 (751) | |
Completeness (%) | 99.8 (97.9) | |
Redundancy | 13.6 (10) | |
Average l/σl | 64 (10) | |
Rsym (%) | 4.9 (20.7) | |
Refinement | Resolution (Å) | 40–2.49 |
Number of reflections | 7,778 (99.69%) | |
Test reflections | 357 (4.59%) | |
Rcryst | 24.1% | |
Rwork | 23.8% | |
Rfree | 28.4% | |
Number of atoms | Protein | 1,514 (residues 6–200) |
Average B factor (Å2) | 45.22 | |
Water | 53 | |
Average B factor (Å2) | 42.04 | |
RMSD from ideal | Bond lengths (Å) | 0.01 |
Bond angles (°) | 1.36 | |
Ramachandran plot qualitya | Most favored | 85.7% |
Additionally allowed | 13.7% | |
Generously allowed | 0.6% | |
Disallowed | 0% |
SFCheck version 7.2.02, included in the CCP4 package.