5BXG

Crystal structure of an uncharacterized beta-sandwich protein (CD630_09570) from Clostridium difficile 630 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 61
Unit cell lengths	69.108, 69.108, 87.802
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.453 - 1.900
R-factor	0.1663
Rwork	0.165
R-free	0.18910
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.130
Data scaling software	XDS (November 3, 2014 BUILT=20141118)
Phasing software	SHELX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.453	49.453	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.065	0.040	0.615
Rmeas	0.071	0.044	0.730
Total number of observations	117394
Number of reflections	18773	1937	1909
<I/σ(I)>	15.17	36.8	1.7
Completeness [%]	99.7	99.7	98.1
Redundancy	6.253

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% polyethylene glycol 3350, 0.2M tri-sodium citrate