1HVJ
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
Experimental procedure
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.830, 59.460, 61.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.000 |
R-factor | 0.158 |
Rwork | 0.158 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.500 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 7.000 * |
High resolution limit [Å] | 2.000 * |
Rmerge | 0.089 * |
Number of reflections | 10031 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.5 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | HIV PR | 8 (mg/ml) | |
2 | 1 | drop | sodium acetate | 50 (mM) | |
3 | 1 | drop | dithiothreitol | 10 (mM) | |
4 | 1 | drop | DMSO | 13 (%) | |
5 | 1 | reservoir | ammonium sulfate | 37 (%sat) | |
6 | 1 | reservoir | sodium citrate | 63 (mM) | |
7 | 1 | reservoir | sodium phosphate | 126 (mM) |