7MMT

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

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	2020-03-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	53.614, 46.721, 133.786
Unit cell angles	90.00, 90.49, 90.00

Refinement procedure

Resolution	38.330 - 1.540
R-factor	0.1848
Rwork	0.184
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ebo
RMSD bond length	0.003
RMSD bond angle	1.145
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	1.570
High resolution limit [Å]	1.540	4.180	1.540
Rmerge	0.071	0.045	0.589
Rmeas	0.077	0.049	0.649
Rpim	0.030	0.019	0.268
Total number of observations	624403
Number of reflections	96895	5110	4553
<I/σ(I)>	8.4
Completeness [%]	98.4	99.8	93.6
Redundancy	6.4	6.2	5.1
CC(1/2)		0.996	0.871

Crystallization Conditions

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