1BL3
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | MAC Science DIP-2000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.100, 72.500, 79.400 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1itg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.045 | 0.202 |
| Number of reflections | 34702 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 95.7 | 91.1 |
| Redundancy | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 19 * | 435MM SODIUM CITRATE, 50MM HEPES-HCL PH 7.5, 7.5MM DTT, [PROTEIN]=0.13MM |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.13 (mM) | |
| 2 | 1 | drop | Mes/NaOH | 25 (mM) | |
| 3 | 1 | drop | 25 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | sodium citrate | 435 (mM) | |
| 6 | 1 | drop | HEPES-HCl | 50 (mM) | |
| 7 | 1 | reservoir | sodium citrate | 870 (mM) | |
| 8 | 1 | reservoir | HEPES-HCl | 100 (mM) | |
| 9 | 1 | reservoir | dithiothreitol | 10 (mM) |
