9OW2

Crystal Structure of the Surface Protein (CD630_07380) from Clostridium difficile Strain 630

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	2018-02-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	42.080, 94.872, 57.093
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	28.550 - 1.850
R-factor	0.18146
Rwork	0.179
R-free	0.22399
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.420
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.107	0.988
Rmeas	0.122
Rpim	0.059	0.548
Number of reflections	37762	1871
<I/σ(I)>	13.1	1.9
Completeness [%]	100.0	100
Redundancy	4.3	4.2
CC(1/2)	1.000	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	Protein: 8.4 mg/ml, 0.25M Sodium chloride, 0.01M Tris buffer pH 8.3; Screen: JSCG+ (H8), 0.2M Sodim chloride, 0.1M Bis-Tris pH 5.5, 25% (w/v) PEG 3350; Cryo: 0.2M Sodim chloride, 0.1M Bis-Tris pH 5.5, 25% (w/v) PEG 3350