1A5W
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06-04 |
| Detector | MACSCIENCE |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.707, 66.707, 81.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.151 |
| Rwork | 0.151 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1asv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 23.310 * |
| 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 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 * | 0.379 * |
| Total number of observations | 93168 * | |
| Number of reflections | 12682 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.0 | 88.2 |
| Redundancy | 7.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 | 20% PEG 4000, 10% ISOPROPANOL, 0.1M NA CITRATE PH 5.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6-7.5 (mg/ml) | |
| 2 | 1 | drop | inhibitor | 0.1 (M) | |
| 3 | 1 | drop | citrate | ||
| 4 | 1 | reservoir | isopropanol | 10 (%) | |
| 5 | 1 | reservoir | PEG4000 | 20 (%) |
