1HTF
X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
Experimental procedure
Spacegroup name | P 61 |
Unit cell lengths | 63.500, 63.500, 83.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.193 |
Rwork | 0.193 |
RMSD bond length | 0.016 |
RMSD bond angle | 3.000 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.200 * |
Rmerge | 0.077 * |
Number of reflections | 8469 * |
Completeness [%] | 87.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4 (mg/ml) | with a 10-fold molar excess of inhibitor |
2 | 1 | reservoir | ammonium sulfate | 250-500 (mM) | |
3 | 1 | reservoir | MES | 50 (mM) | can be replaced with acetate buffer |