2YNI
HIV-1 Reverse Transcriptase in complex with inhibitor GSK952
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-30 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.497, 154.577, 156.406 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.130 - 2.490 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yng |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.053 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.060 | 0.410 |
| Number of reflections | 50530 | |
| <I/σ(I)> | 30.9 | 4.96 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100MM HEPES PH 7.5, 10MM SPERMIDINE, 1.1M SODIUM POTASSIUM TARTRATE |
