3ITH
Crystal structure of the HIV-1 reverse transcriptase bound to a 6-vinylpyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2008-02-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.100, 72.490, 216.290 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 43.895 - 2.800 |
| R-factor | 0.2146 |
| Rwork | 0.212 |
| R-free | 0.26970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.328 |
| 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] | 44.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.065 | 0.518 |
| Number of reflections | 116796 | |
| <I/σ(I)> | 18.7 | 3.2 |
| Completeness [%] | 81.7 | 57.1 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 25% PEG 3350, 100mM Hepes, 200mM ammonium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
