Table 1. Comparison of model statistics for the original and recapitulated PDB entry 3now .
Original | Revised | |
---|---|---|
Resolution range | 49.2–2.99 (49.2–6.44) | 49.2–2.99 (49.2–7.03) |
Reflections used in refinement | 39320 (3335) | 39335 (2509) |
Reflections used for R free | 1865 (153) | 1883 (110) |
R work | 0.1923 (0.2901) | 0.1967 (0.2943) |
R free | 0.2256 (0.3351) | 0.2151 (0.3239) |
No. of non-H atoms | 6077 | 6094 |
Protein residues | 786 | 787 |
R.m.s.d., bond lengths (Å) | 0.013 | 0.007 |
R.m.s.d., angles (°) | 1.42 | 0.94 |
Ramachandran favoured (%) | 91.58 | 97.83 |
Ramachandran allowed (%) | 7.53 | 2.17 |
Ramachandran outliers (%) | 0.89 | 0.00 |
Ramachandran Z-score | −4.62 | −1.38 |
Rotamer outliers (%) | 4.84 | 0.30 |
Clashscore | 18.44 | 0.16 |