6CWP

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

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	2015-06-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 31
Unit cell lengths	53.455, 53.455, 220.747
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.920
R-factor	0.2077
Rwork	0.206
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.086	0.047	0.814
Rmeas	0.095	0.051	0.927
Rpim	0.040	0.019	0.429
Number of reflections	53468	2714	2336
<I/σ(I)>	8.8
Completeness [%]	99.0	99.6	88.1
Redundancy	5	6.6	3.7
CC(1/2)		0.998	0.547

Crystallization Conditions

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