6EBZ

Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form with Thiocyanate Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	80.041, 108.973, 84.031
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	45.040 - 1.660
R-factor	0.1967
Rwork	0.196
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.039
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.690
High resolution limit [Å]	1.660	4.500	1.660
Rmerge	0.084	0.054	0.823
Rmeas	0.095	0.061	1.021
Rpim	0.043	0.027	0.592
Total number of observations	632884
Number of reflections	163766	8480	6798
<I/σ(I)>	8.7
Completeness [%]	96.4	97.9	80.9
Redundancy	3.9	4.5	2.1
CC(1/2)		0.989	0.448

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	15% PEG 3350, 0.2 M calcium chloride, 0.15 M sodium thiocyanate