6TQY

Crystal structure of ribonucleotide reductase NrdF L61G variant from Bacillus anthracis anaerobically soaked with Fe(II) and Mn(II) ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	57.247, 60.495, 95.996
Unit cell angles	90.00, 106.53, 90.00

Refinement procedure

Resolution	41.558 - 1.770
R-factor	0.170746993713
Rwork	0.169
R-free	0.20897
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qo9
RMSD bond length	0.008
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.015	46.015	1.880
High resolution limit [Å]	1.769	5.280	1.770
Rmerge	0.054	0.029	0.432
Rmeas	0.063	0.033	0.507
Number of reflections	60567	2400	9589
<I/σ(I)>	13.97	34.64	2.68
Completeness [%]	98.2	98.8	96.7
Redundancy	3.82	3.98	3.625
CC(1/2)	0.999	0.999	0.911

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