6TQZ

Crystal structure of ribonucleotide reductase NrdF L61G variant from Bacillus anthracis aerobically 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	57.019, 60.124, 96.048
Unit cell angles	90.00, 106.59, 90.00

Refinement procedure

Resolution	46.024 - 2.099
R-factor	0.168555209604
Rwork	0.166
R-free	0.22166
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qo9
RMSD bond length	0.012
RMSD bond angle	1.062
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.024	2.170
High resolution limit [Å]	2.099	2.099
Rmerge	0.089	0.383
Rmeas	0.104	0.444
Rpim	0.052	0.221
Number of reflections	36123	3585
<I/σ(I)>	9.4	3
Completeness [%]	98.2
Redundancy	3.8
CC(1/2)	0.997	0.928

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