5KRS
HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.917 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.908, 71.908, 67.684 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.954 - 1.700 |
R-factor | 0.1693 |
Rwork | 0.168 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.185 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.8.2-1309) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.954 |
High resolution limit [Å] | 1.700 |
Number of reflections | 42447 |
<I/σ(I)> | 16.77 |
Completeness [%] | 98.5 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1 mM manganese chloride, 100 mM MES pH 6.7, 10% (w/v) PEG 8000, and 5 mM DTT |