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 |