4Q0B
Crystal structure of HIV-1 reverse transcriptase in complex with gap-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 | 2013-10-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.716, 131.051, 141.631 |
| Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
| Resolution | 46.391 - 3.300 |
| R-factor | 0.2373 |
| Rwork | 0.235 |
| R-free | 0.31720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v81 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.770 |
| 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 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.142 | 0.670 |
| Number of reflections | 48325 | |
| <I/σ(I)> | 7 | 1.38 |
| Completeness [%] | 98.6 | 97.6 |
| Redundancy | 3 | 2.5 |
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 |
