4PUO
Crystal structure of HIV-1 reverse transcriptase in complex with RNA/DNA and Nevirapine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-11 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.736, 132.128, 141.961 |
| Unit cell angles | 90.00, 100.63, 90.00 |
Refinement procedure
| Resolution | 46.508 - 2.901 |
| R-factor | 0.2298 |
| Rwork | 0.228 |
| R-free | 0.28540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v81 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.772 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.093 | 0.687 |
| Number of reflections | 71012 | |
| <I/σ(I)> | 8.8 | 1.27 |
| Completeness [%] | 98.8 | 94.3 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | 9-11% PEG8000, 100 mM ammonium sulfate, 5% glycerol, 5% sucrose, 20 mM magnesium chloride, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
