5KRT
HIV-1 Integrase Catalytic Core Domain (CCD) in Complex with a Fragment-Derived Allosteric Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.917 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.069, 72.069, 66.348 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.239 - 1.651 |
R-factor | 0.1856 |
Rwork | 0.185 |
R-free | 0.19520 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.329 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.8.2-1309) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.650 |
Number of reflections | 24271 |
<I/σ(I)> | 29.55 |
Completeness [%] | 99.5 |
Redundancy | 7.3 |
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 |