6DTX
Wildtype HIV-1 Reverse Transcriptase 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 | 2013-10-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 223.166, 69.289, 104.625 |
| Unit cell angles | 90.00, 106.20, 90.00 |
Refinement procedure
| Resolution | 42.596 - 3.327 |
| R-factor | 0.1985 |
| Rwork | 0.196 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mfb |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.454 |
| 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] | 50.000 | 3.410 |
| High resolution limit [Å] | 3.327 | 3.327 |
| Number of reflections | 21940 | 1056 |
| <I/σ(I)> | 22.2 | 2.4 |
| Completeness [%] | 98.4 | 98 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 8000, ammonium sulfate, magnesium sulfate, spermine, MES (pH 6), rilpivirine. |
