7MMV

Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae with Cu(I) bound (Cu sulfate 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	53.735, 46.743, 133.922
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	38.360 - 1.780
R-factor	0.1815
Rwork	0.180
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ebo
RMSD bond length	0.003
RMSD bond angle	1.156
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	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.147	0.046	0.957
Rmeas	0.158	0.050	1.038
Rpim	0.058	0.018	0.400
Total number of observations	462174
Number of reflections	62957	3346	3056
<I/σ(I)>	6.7
Completeness [%]	98.0	99.2	96.7
Redundancy	7.3	7.3	6.4
CC(1/2)		0.996	0.825

Crystallization Conditions

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