From: Characterization of resistance to a potent d-peptide HIV entry inhibitor
 | Q577R |
---|---|
Data | |
 Processing software | HKL2000 |
 Space group | R3 (48.8, 48.8, 67.6) |
 Resolution (Å) | 50.0–1.30 |
 Resolution (Å) (high-resolution shell) | (1.35–1.30) |
 # Reflections measured | 144,573 |
 # Unique reflections | 14,571 |
 Redundancy | 9.9 |
 Completeness (%) | 98.5 (99.7) |
  < I/σI> | 7 (2.1) |
 CC1/2 | 0.985 (0.973) |
 Mosaicity (o) | 0.62 |
 Rpim | 0.038 (0.128) |
Refinement | |
 Refinement software | PHENIX.REFINE |
 Resolution (Å) | 50.0–1.30 |
 Resolution (Å)—(high-resolution shell) | (1.347–1.300) |
 # Reflections used for refinement | 14,461 |
 # Reflections in Rfree set | 1445 |
 Rcryst | 0.190 (0.249) |
 Rfree | 0.240 (0.282) |
 RMSD: bonds (Å)/angles (°) | 0.008/1.044 |
  < B > (Å2): all protein atoms/# atoms | 23.9/530 |
  < B > (Å2): solvent molecules/#water + 2 chloride ions | 40.7/76 |
 ϕ/ψ most favored (%)/additionally allowed (%) | 100/0.0 |