3CVZ

Structural insights into the molecular organization of the S-layer from Clostridium difficile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.117
Spacegroup name	P 64
Unit cell lengths	107.059, 107.059, 190.617
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.358 - 2.400
R-factor	0.2328
Rwork	0.231
R-free	0.29400
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	50.000	2.210
High resolution limit [Å]	2.130	4.590	2.130
Rmerge	0.087	0.045
Number of reflections	68870
<I/σ(I)>	9.4
Completeness [%]	99.8	99.7	99.7
Redundancy	17.8	19.3	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	25% PEG 1500, 0.1M SPG buffer, pH 4.0, vapor diffusion, sitting drop, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	4	291	25% PEG 1500, 0.1M SPG buffer, pH 4.0, vapor diffusion, sitting drop, temperature 291K