3VQ6
HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9597 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.452, 61.928, 81.674 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.330 - 1.800 |
R-factor | 0.20807 |
Rwork | 0.206 |
R-free | 0.25585 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l3u |
RMSD bond length | 0.021 |
RMSD bond angle | 2.038 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.900 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.130 | |
Number of reflections | 29112 | |
<I/σ(I)> | 13.1 | |
Completeness [%] | 99.0 | 99.5 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 1.6M AmSO4, 0.1M Na Citrate pH 5.6, 50mM CdCl2 , VAPOR DIFFUSION, HANGING DROP, temperature 295K |