6QO5

Crystal structure of apo (metal-free) ribonucleotide reductase NrdF from Bacillus anthracis

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	57.185, 59.806, 95.234
Unit cell angles	90.00, 107.08, 90.00

Refinement procedure

Resolution	40.350 - 1.511
R-factor	0.1665
Rwork	0.165
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kgn
RMSD bond length	0.011
RMSD bond angle	1.092
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]	40.350	1.570
High resolution limit [Å]	1.510	1.510
Rmerge	0.044	0.622
Rmeas	0.051	0.723
Rpim	0.026	0.365
Number of reflections	95759	9403
<I/σ(I)>	16.35	2.11
Completeness [%]	99.5	97.94
Redundancy	3.7	3.8
CC(1/2)	0.999	0.805

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