6DTW
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.289, 73.899, 108.249 |
| Unit cell angles | 90.00, 99.50, 90.00 |
Refinement procedure
| Resolution | 34.903 - 2.742 |
| R-factor | 0.2442 |
| Rwork | 0.242 |
| R-free | 0.28440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mfb |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.466 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.903 | 2.790 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Number of reflections | 32884 | 1649 |
| <I/σ(I)> | 30.1 | 2.6 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | MES, PEG 8000, spermine, magnesium sulfate, ammonium sulfate, rilpivirine |
