7XIS
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 | 62.121, 62.121, 83.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.930 - 1.880 |
R-factor | 0.2145 |
Rwork | 0.213 |
R-free | 0.24090 |
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 (1.18) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.930 | 43.930 | 1.920 |
High resolution limit [Å] | 1.880 | 9.000 | 1.880 |
Rmerge | 0.122 | 0.058 | 1.374 |
Rmeas | 0.127 | 0.061 | 1.432 |
Rpim | 0.035 | 0.020 | 0.396 |
Total number of observations | 1618 | 10668 | |
Number of reflections | 25597 | 170 | 864 |
<I/σ(I)> | 12.1 | 32.5 | 1.8 |
Completeness [%] | 99.9 | 99.5 | 99.1 |
Redundancy | 13.1 | 9.5 | 12.3 |
CC(1/2) | 0.998 | 0.998 | 0.697 |
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 |