4JGI

1.5 Angstrom crystal structure of a novel cobalamin-binding protein from Desulfitobacterium hafniense DCB-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	200
Detector technology	PIXEL
Collection date	2012-05-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.95
Spacegroup name	P 31
Unit cell lengths	69.990, 69.990, 91.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.690 - 1.500
R-factor	0.14971
Rwork	0.147
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.140
Data reduction software	xia2 (XDS)
Data scaling software	xia2 (XDS scale)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	32.700
High resolution limit [Å]	1.500
Number of reflections	75677
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277.15	0.1 M MMT buffer, 25 % w/v PEG 1500, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K