8DQ4

X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) class Id ribonucleotide reductase beta subunit K71R variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	P 31
Unit cell lengths	53.551, 53.551, 220.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.840 - 2.350
R-factor	0.2296
Rwork	0.227
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cwp
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]	50.000	2.390
High resolution limit [Å]	2.350	2.350
Rmeas	0.081	0.239
Rpim	0.033	0.097
Number of reflections	28885	1467
<I/σ(I)>	21	5.9
Completeness [%]	98.3	98.9
Redundancy	5.8	5.4
CC(1/2)	0.978	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	294	0.1 M magnesium acetate, 20% (v/v) PEG 3350