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