6QO8

Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis anaerobically soaked with ferrous ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	57.558, 61.456, 95.794
Unit cell angles	90.00, 106.59, 90.00

Refinement procedure

Resolution	45.903 - 1.319
R-factor	0.135057759383
Rwork	0.134
R-free	0.16061
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qo5
RMSD bond length	0.011
RMSD bond angle	1.135
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]	45.903	1.370
High resolution limit [Å]	1.319	1.319
Rmerge	0.040	0.437
Rmeas	0.048	0.559
Rpim	0.026	0.343
Number of reflections	147577	13178
<I/σ(I)>	14.7	1.75
Completeness [%]	97.9	87.89
Redundancy	3.2	2.3
CC(1/2)	0.999	0.817

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