2BAN
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R157208
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 226.240, 69.430, 104.450 |
| Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.950 |
| R-factor | 0.25 |
| Rwork | 0.243 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hnv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.063 | 0.404 |
| Number of reflections | 31625 | |
| Completeness [%] | 95.5 | 77.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | PEG8000, AMMINIUM SULPHATE, SODIUM, CHLORID, MANGANESE CHLORIDE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
