6TQV
Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis aerobically soaked with Fe(II) and Mn(II) ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.04 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.178, 60.300, 95.831 |
Unit cell angles | 90.00, 106.47, 90.00 |
Refinement procedure
Resolution | 54.354 - 1.350 |
R-factor | 0.147741493981 |
Rwork | 0.147 |
R-free | 0.16888 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qo9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.094 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.354 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.036 | 0.589 |
Rmeas | 0.049 | 0.803 |
Rpim | 0.032 | 0.548 |
Number of reflections | 131966 | 11538 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 96.0 | |
Redundancy | 3.5 | |
CC(1/2) | 0.965 | 0.629 |
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 |