1BHL
CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-21 |
| Detector | MACSCIENCE |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.500, 72.500, 65.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1itg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.500 |
| 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] | 15.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.043 | 0.153 |
| Number of reflections | 10359 | |
| <I/σ(I)> | 8 | 7.3 |
| Completeness [%] | 98.5 | 93.7 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 * | 3-9% PEG 8000, 0.4M AMMONIUM SULFATE, 0.1M SODIUM CACODYLATE PH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 25 (mM) | ||
| 10 | 1 | reservoir | sodium cacodylate-HCl | 100 (mM) | |
| 2 | 1 | drop | MES-NaOH | 25 (mM) | pH5.5 |
| 3 | 1 | drop | dithiothreitol | 2.5 (%) | |
| 4 | 1 | drop | PEG8000 | 2 (%(w/v)) | |
| 5 | 1 | drop | ammonium sulfate | 200 (mM) | |
| 6 | 1 | drop | sodium cacodylate-HCl | 50 (mM) | pH6.5 |
| 7 | 1 | drop | protein | 0.13 (mM) | |
| 8 | 1 | reservoir | ammonium sulfate | 400 (mM) | |
| 9 | 1 | reservoir | PEG8000 | 4 (%(w/v)) |
