3VQ9
HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.94937 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.327, 72.909, 79.851 |
| Unit cell angles | 90.00, 108.60, 90.00 |
Refinement procedure
| Resolution | 75.590 - 1.900 |
| R-factor | 0.1976 |
| Rwork | 0.196 |
| R-free | 0.23202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bl3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.144 |
| 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] | 75.600 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.299 |
| Number of reflections | 42469 | |
| <I/σ(I)> | 17.5 | 2.5 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.4M SODIUM CITRATE, 50mM HEPES PH 7.5, 7.5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
