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 |
