4GW6
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 | 2012-02-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.541 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.769, 72.769, 65.379 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.600 - 2.650 |
R-factor | 0.1988 |
Rwork | 0.194 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.685 |
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] | 60.000 | 60.000 | 2.700 |
High resolution limit [Å] | 2.650 | 7.190 | 2.650 |
Rmerge | 0.053 | 0.025 | 0.645 |
Number of reflections | 6071 | ||
<I/σ(I)> | 22.6 | ||
Completeness [%] | 99.2 | 91.8 | 100 |
Redundancy | 7.6 | 6.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 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 |