Table 3.
Refinement Statistics for Wild-Type BpsDsbA
| Refinement | |
| Resolution (Å) | 44.9–1.9 |
| Completeness for range (%) | 99.97 |
| Rfactora | 15.86 (22.07) |
| Rfreeb | 19.28 (26.90) |
| Number of non-H protein atoms | 1500 |
| Number of waters | 145 |
| Number of non-H GOL atoms | 3×6 |
| B factors (Å2) | |
| Wilson | 29.50 |
| All atom/water | 35.90/39.40 |
| r.m.s.d. from ideal geometry | |
| Bonds (Å) | 0.012 |
| Angles (°) | 1.3 |
| Molprobity analysis | |
| Ramachandran favored/allowed/outliers (%) | 97.88/2.12/0 |
| Residues with bad bonds/angles (%) | 0/0 |
| Poor rotamers (%) | 0.62 |
| Clashscore (percentile) | 2.28 (99th) |
| Molprobity score (percentile) | 1.03 (100th) |
Values in parentheses refer to the highest resolution shell.
a
, where h Hdefines the unique reflections.
b
Rfree calculated over 5.0% of total reflections excluded from refinement.
r.m.s.d., root mean squared deviation.