3VQB
HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
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 | 2007-11-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95361 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.868, 63.227, 81.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.400 - 2.100 |
| R-factor | 0.20364 |
| Rwork | 0.201 |
| R-free | 0.25232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l3u |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.022 |
| 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] | 43.850 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.078 | 0.367 |
| Number of reflections | 19079 | |
| <I/σ(I)> | 17.7 | 3.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.4 | 6.5 |
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 |
