3VQ7
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95363 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.284, 61.658, 82.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.150 - 1.630 |
| R-factor | 0.20042 |
| Rwork | 0.199 |
| R-free | 0.22677 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l3u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.749 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.150 | 1.692 |
| High resolution limit [Å] | 1.600 | 1.634 |
| Rmerge | 0.080 | |
| Number of reflections | 38422 | |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 99.6 | 95.74 |
| Redundancy | 7.2 |
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 |
