6CGM

X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit (nucleotide free)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 43 21 2
Unit cell lengths	72.855, 72.855, 296.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.1947
Rwork	0.193
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.310
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.111	0.044	0.740
Rmeas	0.114	0.045	0.778
Rpim	0.024	0.010	0.237
Number of reflections	55327	3109	2716
<I/σ(I)>	4.6
Completeness [%]	100.0	99.9	100
Redundancy	20.9	21.1	10.4
CC(1/2)		0.999	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M HEPES (pH 7.0), 10% (w/v) PEG 6000, 9 mM TCEP