6CWO

X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) ribonucleotide reductase beta subunit (aerobic)

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	2015-04-18
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 31
Unit cell lengths	53.690, 53.690, 221.845
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.950 - 1.870
R-factor	0.2086
Rwork	0.207
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.299
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.950	50.000	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmerge	0.065	0.029	0.834
Rmeas	0.072	0.032	0.939
Rpim	0.030	0.013	0.426
Number of reflections	59093	2970	2964
<I/σ(I)>	9.7
Completeness [%]	100.0	99.9	99.7
Redundancy	5.7	5.8	4.7
CC(1/2)		0.999	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M magnesium acetate, 20% (w/v) PEG 3350