8DQ5

X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) class Id ribonucleotide reductase T191I variant

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	2016-06-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31
Unit cell lengths	53.771, 53.771, 221.288
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.570 - 2.100
R-factor	0.2483
Rwork	0.246
R-free	0.28200
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	2.140
High resolution limit [Å]	2.100	2.100
Rmeas		0.853
Rpim	0.042	0.387
Number of reflections	36014	1964
<I/σ(I)>	18.76	1.6
Completeness [%]	98.5	92.9
Redundancy	5.5	4.1
CC(1/2)	0.899	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	294	0.2 M Mg-acetate, 20% (v/v) PEG3350