6CWQ

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

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	2015-10-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	48.356, 50.816, 79.285
Unit cell angles	106.15, 105.03, 95.75

Refinement procedure

Resolution	72.630 - 1.900
R-factor	0.193
Rwork	0.192
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.980
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]	72.630	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.056	0.023	0.500
Rmeas	0.066	0.027	0.592
Rpim	0.035	0.014	0.313
Total number of observations	175305
Number of reflections	51916	2618	2632
<I/σ(I)>	8.8
Completeness [%]	96.0	96.9	94.9
Redundancy	3.4	3.4	3.3
CC(1/2)		0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	20% PEG 3350, 100 mM magnesium formate