From: Crystal structure of an FIV/HIV chimeric protease complexed with the broad-based inhibitor, TL-3
Unit Cell | ||
Space group | P3121 | |
a, b, c (Ã…) | 50.32 50.32 74.16 | |
VM (Ã…3/Da) | 2.5 | |
Solvent content (%) | 49.7 | |
Monomers/asymmetric unit | 1 | |
Data Collection | ||
SSRL beam line | BL 1-5 | |
Wavelength (Ã…) | 0.979 | |
Resolution range (Å) | 74.0 – 1.70 | |
Observations | 77,552 | |
Reflections | 12,424 | |
Redundancy | 6.2 (6.0) | |
Completeness (%)[1] | 99.7 (99.6) | |
<I>/<σI> | 15.7 (2.6) | |
Rsymm(I)[2] | 0.070 (0.368) | |
Refinement | ||
Reflections > 0.0 σF | 12,396 | |
R-factor[3] | 0.184 | |
Rfree (% of data) | 0.233 (5.0) | |
R.m.s. deviation, bonds (Ã…) | 0.011 | |
R.m.s. deviation, angles (deg)[4] | 1.47 | |
Model | ||
Protein | Atoms | <B-factor> (Ã… 2 ) |
Protein[5] | 1,134 | 21.2/24.6[6] |
TL-3 | 33 | 19.8 |
Water molecules | 121 | 38.5 |