7XJ5
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
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 | 2016-11-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.289, 61.289, 83.116 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.400 - 1.750 |
R-factor | 0.2713 |
Rwork | 0.270 |
R-free | 0.29840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qin |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.83) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.330 | 49.330 | 1.780 |
High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
Rmerge | 0.121 | 0.044 | 1.622 |
Rmeas | 0.123 | 0.045 | 1.663 |
Rpim | 0.023 | 0.010 | 0.361 |
Total number of observations | 2990 | 18281 | |
Number of reflections | 30578 | 157 | 888 |
<I/σ(I)> | 31.6 | 73.6 | 2.1 |
Completeness [%] | 100.0 | 98.5 | 99.9 |
Redundancy | 27.4 | 19 | 20.6 |
CC(1/2) | 1.000 | 0.999 | 0.637 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 291 | 0.1M MES, 26%(v/v) PEG 6000, 0.01M Zinc Sulfate, 0.001M MANGANESE CHLORIDE |