8J4V
Structure of Mycobacterium thermoresistibile NrdI(oxidised) determined at 1.1 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.010, 37.200, 48.380 |
| Unit cell angles | 90.00, 111.61, 90.00 |
Refinement procedure
| Resolution | 44.980 - 1.110 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.15790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.980 | 1.150 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Number of reflections | 47159 | 4696 |
| <I/σ(I)> | 35.82 | |
| Completeness [%] | 99.8 | 99.68 |
| Redundancy | 12.6 | 11.2 |
| CC(1/2) | 0.793 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293.15 | 0.15M potassium phosphate monobasic and 18% PEG 3350 |
