6IKA
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-19 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | H 3 |
Unit cell lengths | 285.405, 285.405, 96.346 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.869 - 2.598 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xn1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.121 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.760 |
High resolution limit [Å] | 2.598 | 2.598 |
Rmeas | 0.091 | 0.844 |
Number of reflections | 89785 | 14209 |
<I/σ(I)> | 15.89 | 2 |
Completeness [%] | 99.6 | 97.4 |
Redundancy | 5.42 | |
CC(1/2) | 0.998 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20 mM Bis-Tris-HCl PH 6.0, 30-40 mM di-ammonium hydrogen citrate, 20 mM MgCl2, 3.5-4% PEG 6000, 2.4% sucrose, 4.8% glycerol |