6QO9

Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis soaked with manganese 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	57.529, 61.231, 95.836
Unit cell angles	90.00, 106.48, 90.00

Refinement procedure

Resolution	28.760 - 1.299
R-factor	0.137
Rwork	0.136
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qo5
RMSD bond length	0.012
RMSD bond angle	1.209
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]	28.760	1.350
High resolution limit [Å]	1.299	1.300
Rmerge	0.048	0.532
Rmeas	0.057	0.632
Rpim	0.031	0.338
Number of reflections	155351	15233
<I/σ(I)>	14.9	2.16
Completeness [%]	99.0	97.65
Redundancy	3.3	3.3
CC(1/2)	0.999	0.796

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