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 |