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 |