4PWD
Crystal structure of HIV-1 reverse transcriptase in complex with bulge-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 | 2013-11-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.684, 130.765, 141.866 |
| Unit cell angles | 90.00, 100.75, 90.00 |
Refinement procedure
| Resolution | 44.678 - 3.000 |
| R-factor | 0.2234 |
| Rwork | 0.221 |
| R-free | 0.29090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v81 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.649 |
| 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 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.097 | 0.669 |
| Number of reflections | 61963 | |
| <I/σ(I)> | 9.9 | 1.6 |
| Completeness [%] | 96.2 | 90.9 |
| Redundancy | 3.6 | 3 |
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 7.2-7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
