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 |