1BDQ
HIV-1 (2:31-37, 47, 82) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.910, 62.910, 83.560 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.26100 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1sbg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 28.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 0.700 |
| Total number of observations | 43218 * | |
| Number of reflections | 5858 | |
| <I/σ(I)> | 14.1 | 6.4 |
| Completeness [%] | 99.0 | 53.7 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 21 * | HANGING DROP VAPOUR DIFFUSION, BY MIXING EQUAL VOLUMES OF RESERVOIR AND SAMPLE, 21 DEGREES C. RESERVOIR: 35% 3.5 MG/ML PROTEIN/INHIBITOR COMPLEX AT 1:5 MOLAR RATIO., pH 5.6, vapor diffusion - hanging drop, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | inhibitor | 3.5 (mg/ml) | |
| 2 | 1 | drop | 200 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | EDTA | 2 (mM) | |
| 5 | 1 | drop | 50 (mM) | ||
| 6 | 1 | reservoir | ammonium sulfate | 35 (%sat) | |
| 7 | 1 | reservoir | 0.2 (M) |
