6TQX

Crystal structure of apo (metal-free) ribonucleotide reductase NrdF L61G variant from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	57.335, 60.493, 95.601
Unit cell angles	90.00, 106.62, 90.00

Refinement procedure

Resolution	54.490 - 2.050
R-factor	0.17000416367
Rwork	0.168
R-free	0.20718
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qo9
RMSD bond length	0.012
RMSD bond angle	1.100
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]	54.490	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.079	0.390
Rmeas	0.110	0.543
Rpim	0.077	0.377
Number of reflections	38704	3903
<I/σ(I)>	6.5
Completeness [%]	98.0
Redundancy	3
CC(1/2)	0.990	0.902

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