6QO7

Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis aerobically soaked with ferrous ions (photo-reduced)

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	57.293, 59.958, 95.360
Unit cell angles	90.00, 107.11, 90.00

Refinement procedure

Resolution	41.819 - 1.628
R-factor	0.1605
Rwork	0.159
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.185
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]	41.819	1.690
High resolution limit [Å]	1.628	1.628
Rmerge	0.062	0.628
Rmeas	0.072	0.729
Rpim	0.036	0.366
Number of reflections	77191	7581
<I/σ(I)>	12.8	2.05
Completeness [%]	99.6	98.35
Redundancy	3.8	3.8
CC(1/2)	0.999	0.778

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