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 |
