Table 2: Crystallographic data collection and refinement statistics.
Parenthesis indicate highest resolution shell. The lowest resolution shells were from 50 Å to 3.58 and 3.77 for PRS5B/DRV and PRS5B/APV respectively.
Structure | PRS5B/DRV | PRS5B/APV | |
---|---|---|---|
PDB entry | 6P9A | 6P9B | |
Data Collection | Space group | P 43 21 2 | P 43 21 2 |
a, b, c (Å) | 74.00, 74.00, 93.98 | 73.66, 73.66, 94.33 | |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | |
Space group | P 43 21 2 | P 43 21 2 | |
Resolution range (Å) | 50 – 1.66 (1.72–1.66) | 50 – 1.75 (1.81–1.75) | |
Unique Reflections | 31,010 (3033) | 26,189 (2497) | |
Completeness (%) | 99.9 (97.0) | 100 (95.0) | |
Redundancy | 4.0 (4.1) | 4.1 (3.7) | |
I/σ(I) | 18.1 (3.2) | 20.3 (2.8) | |
Rmerge (%) | 6.6 (49.1) | 5.9 (48.9) | |
CC1/2 (%) | 99.5 (88.8) | 100 (82.1) | |
Refinement Statistics | Rwork (%) | 18.1 | 18.2 |
Rfree (%) | 21.5 | 21.7 | |
Solvent atoms | 157 | 141 | |
Average B-factors (Å2) | |||
Protein | 23.7 | 26.3 | |
Inhibitor | 16.8 | 20.3 | |
Solvent | 25.8 | 29.8 | |
RMSD from ideality | |||
Bond lengths (Å) | 0.013 | 0.011 | |
1.98 | 1.90 |