6QOB
Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis with partially oxidised di-iron metallocofactor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-03 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.137, 60.377, 95.758 |
| Unit cell angles | 90.00, 106.38, 90.00 |
Refinement procedure
| Resolution | 45.935 - 1.457 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.19360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qo5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.935 | 1.510 |
| High resolution limit [Å] | 1.457 | 1.460 |
| Rmerge | 0.058 | 0.584 |
| Rmeas | 0.069 | 0.710 |
| Rpim | 0.037 | 0.399 |
| Number of reflections | 107862 | 28884 |
| <I/σ(I)> | 11.48 | 1.62 |
| Completeness [%] | 98.7 | 89.12 |
| Redundancy | 3.4 | 3 |
| CC(1/2) | 0.999 | 0.746 |
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 |
