3QIP
Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.898, 154.876, 153.079 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.354 - 2.093 |
R-factor | 0.2188 |
Rwork | 0.216 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vrt |
RMSD bond length | 0.008 |
RMSD bond angle | 1.091 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.093 | 2.093 |
Rmerge | 0.046 | 0.500 |
Number of reflections | 82059 | |
<I/σ(I)> | 29.3 | 2.1 |
Completeness [%] | 98.9 | 87.9 |
Redundancy | 5.6 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.3M (NH4)2SO4, 5mM sodium malonate, and 100mM cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |