7MMU

Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae with Cu(I) bound (Cu acetonitrile soak)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	53.616, 46.766, 134.077
Unit cell angles	90.00, 90.52, 90.00

Refinement procedure

Resolution	44.200 - 2.080
R-factor	0.1961
Rwork	0.195
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ebo
RMSD bond length	0.002
RMSD bond angle	1.151
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.080	5.640	2.080
Rmerge	0.242	0.138	0.700
Rmeas	0.269	0.155	0.780
Rpim	0.114	0.069	0.338
Total number of observations	212942
Number of reflections	40359	2129	2023
<I/σ(I)>	4.5
Completeness [%]	99.8	99.3	99.6
Redundancy	5.3	5.1	4.9
CC(1/2)		0.982	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	18% (w/v) PEG 3350, 0.2 M magnesium chloride