4ID1
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-09-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.242, 72.242, 66.148 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.560 - 1.870 |
| R-factor | 0.1997 |
| Rwork | 0.196 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1itg |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.701 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.2.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.563 | 50.000 | 1.900 |
| High resolution limit [Å] | 1.870 | 5.070 | 1.870 |
| Rmerge | 0.035 | 0.020 | 0.466 |
| Number of reflections | 16845 | ||
| <I/σ(I)> | 25 | ||
| Completeness [%] | 99.5 | 95.6 | 100 |
| Redundancy | 5 | 5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.5 | 10% PEG8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulphate, Vapor Diffusion,hanging drop, temperature 277.5K |
