2B5J
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481
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 | 2001-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 224.590, 69.300, 105.020 |
| Unit cell angles | 90.00, 106.47, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.900 |
| R-factor | 0.248 |
| Rwork | 0.248 |
| R-free | 0.30400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s6q |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.046 | 0.324 |
| Number of reflections | 33078 | |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 95.4 | 83.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 277 | PEG8000, AMMINIUM SULPHATE, SODIUM CHLORIDE, Manganese Chloride, pH 6.8, VAPOR DIFFUSION, temperature 277K |
