1BDL
HIV-1 (2:31-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 63.410, 63.410, 83.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.201 * |
| Rwork | 0.201 |
| R-free | 0.25500 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1sbg |
| RMSD bond length | 0.019 |
| RMSD bond angle | 29.200 * |
| 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 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.130 | 0.080 |
| Total number of observations | 53648 * | |
| Number of reflections | 4054 | |
| Completeness [%] | 95.6 | 74.2 |
| Redundancy | 2.9 | 2.87 |
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: 10% PEG-1000, 0.2M AMMONIUM SULFATE, 0.1 M MES, PH 6.0. SAMPLE: 3.5 MG/ML PROTEIN/INHIBITOR COMPLEX AT 1:5 MOLAR RATIO., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG1000 | 10 (%) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | reservoir | MES | 0.1 (M) | |
| 4 | 1 | drop | inhibitor | 3.5 (mg/ml) | |
| 5 | 1 | drop | 200 (mM) | ||
| 6 | 1 | drop | dithiothreitol | 5 (mM) | |
| 7 | 1 | drop | EDTA | 2 (mM) | |
| 8 | 1 | drop | 50 (mM) |
