1HIH
COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR
Experimental procedure
Detector technology | DIFFRACTOMETER |
Collection date | 1993-08 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.000, 59.300, 61.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.200 |
R-factor | 0.144 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.420 * |
Data reduction software | MADNES |
Phasing software | X-PLOR |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 2.200 * | 2.200 * |
Rmerge | 0.057 | 0.226 * |
Total number of observations | 30789 * | |
Number of reflections | 10082 | |
Completeness [%] | 99.4 | |
Redundancy | 3.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.4 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 2 (mg/ml) | |
2 | 1 | drop | dimethylsulfoxide | 10 (mg/ml) | |
3 | 1 | drop | ammonium sulfate | 15-30 (%sat) | |
4 | 1 | reservoir | sodium acetate | 0.1 (M) | |
5 | 1 | reservoir | ammonium sulfate | 15-30 (%sat) |