8DQ3

X-ray crystal structure of Aggregatibacter actinomycetemcomitans dimanganese(II) class Id ribonucleotide reductase beta subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	52.213, 156.540, 80.722
Unit cell angles	90.00, 91.09, 90.00

Refinement procedure

Resolution	44.220 - 1.670
R-factor	0.1709
Rwork	0.170
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7M8G
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.220	1.730
High resolution limit [Å]	1.670	1.670
Rmeas	0.070
Rpim	0.026
Number of reflections	148843	14355
<I/σ(I)>	27.235	3.7
Completeness [%]	99.5	100
Redundancy	7.4	6.9
CC(1/2)		0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	294	0.2 M magnesium formate, 16% (w/v) PEG 3350