3ISN
Crystal structure of HIV-1 RT bound to A 6-vinylpyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2008-12-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.2824 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 225.121, 72.182, 93.516 |
Unit cell angles | 90.00, 108.97, 90.00 |
Refinement procedure
Resolution | 49.102 - 2.500 |
R-factor | 0.2236 |
Rwork | 0.221 |
R-free | 0.28050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 1DLO |
RMSD bond length | 0.010 |
RMSD bond angle | 1.353 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.4_57)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.076 | 0.542 |
Number of reflections | 49675 | |
<I/σ(I)> | 26.49 | 3.53 |
Completeness [%] | 82.3 | 67.4 |
Redundancy | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 100mM Bis-Tris , 25% PEG 3350, 200mM ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |