7MMR

Crystal Structure of the Class Ie Ribonucleotide Reductase Beta-NrdI complex from Aerococcus urinae in Oxidized Form with Cu(I) bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99998
Spacegroup name	P 1 21 1
Unit cell lengths	77.398, 104.958, 138.067
Unit cell angles	90.00, 100.01, 90.00

Refinement procedure

Resolution	34.320 - 2.000
R-factor	0.21
Rwork	0.209
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ebo
RMSD bond length	0.002
RMSD bond angle	1.155
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.078	0.035	1.026
Rmeas	0.084	0.037	1.109
Rpim	0.031	0.013	0.417
Total number of observations	1050183
Number of reflections	146267	7489	7245
<I/σ(I)>	9.3
Completeness [%]	99.7	99.7	98.9
Redundancy	7.2	7.6	6.8
CC(1/2)		0.999	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	17% (w/v) PEG 3350, 0.1 M calcium chloride, 0.1 M Tris pH 8.5