6TQY
Crystal structure of ribonucleotide reductase NrdF L61G variant from Bacillus anthracis anaerobically soaked with Fe(II) and Mn(II) ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.247, 60.495, 95.996 |
Unit cell angles | 90.00, 106.53, 90.00 |
Refinement procedure
Resolution | 41.558 - 1.770 |
R-factor | 0.170746993713 |
Rwork | 0.169 |
R-free | 0.20897 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qo9 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.945 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.015 | 46.015 | 1.880 |
High resolution limit [Å] | 1.769 | 5.280 | 1.770 |
Rmerge | 0.054 | 0.029 | 0.432 |
Rmeas | 0.063 | 0.033 | 0.507 |
Number of reflections | 60567 | 2400 | 9589 |
<I/σ(I)> | 13.97 | 34.64 | 2.68 |
Completeness [%] | 98.2 | 98.8 | 96.7 |
Redundancy | 3.82 | 3.98 | 3.625 |
CC(1/2) | 0.999 | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 1.8 - 2.0 M ammonium sulphate, 0.1 M Bis-Tris methane, pH 6.5 |