8SMQ

Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97864
Spacegroup name	C 1 2 1
Unit cell lengths	149.797, 81.302, 93.751
Unit cell angles	90.00, 128.81, 90.00

Refinement procedure

Resolution	29.180 - 2.000
R-factor	0.21687
Rwork	0.215
R-free	0.25742
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	1.190
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.123	0.917
Rpim	0.052	0.384
Number of reflections	59250	2962
<I/σ(I)>	14.1	1.9
Completeness [%]	99.1	99.3
Redundancy	6.5	6.5
CC(1/2)	0.993	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 13.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3);Screen: ComPAS (A1), 0.1M Potassium chloride, 12% (w/v) PEG800, 5% (w/v) Glycerol Cryo: ComPAS (A2), 0.5M Potassium chloride, 12% (w/v) PEG800, 10% (w/v) Glycerol.