6TQW

Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis anaerobically 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	57.502, 61.278, 95.372
Unit cell angles	90.00, 106.61, 90.00

Refinement procedure

Resolution	55.102 - 1.550
R-factor	0.1588
Rwork	0.158
R-free	0.17690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qo9
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.102	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.035	0.180
Rmeas	0.047	0.241
Rpim	0.031	0.159
Number of reflections	88662	8520
<I/σ(I)>	16.7
Completeness [%]	96.0
Redundancy	3.8
CC(1/2)	0.993	0.975

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