Table 1. Crystallographic data-collection and refinement statistics.
PDB code | 2pm8 |
Resolution (Å) | 50–2.8 (2.9–2.8) |
Rmerge† (%) | 11.6 (52.9) |
Completeness (%) | 95.0 (95.0) |
Redundancy | 4.9 (3.0) |
I/σ(I) | 5.6 (1.6) |
Refinement statistics | |
R factor‡ (%) | 22.5 (30.2) |
Rfree§ (%) | 29.2 (36.2) |
Mean B factor (Å2) | 56.4 |
R.m.s. deviation from ideal | |
Bond length (Å) | 0.012 |
Bond angle (°) | 1.536 |
Chiral (Å3) | 0.101 |
Ramachandran plot | |
Most favored regions (%) | 80.0 |
Additional allowed regions (%) | 18.9 |
Generously allowed regions (%) | 0.5 |
Disallowed regions (%) | 0.5 |
R merge = , where I is the observed intensity and 〈I〉 is the average intensity obtained from multiple observations of symmetry-related reflections after rejections.
R factor = , where F o are observed and F c are calculated structure-factor amplitudes.
The R free set uses a randomly chosen 5% of reflections.