4P5H

Structure of Clostridium perfringens Enterotoxin with a peptide derived from a modified version of ECL-2 of Claudin 2

Replaces:  3ZJ3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.8726
Spacegroup name	C 1 2 1
Unit cell lengths	369.600, 100.260, 265.360
Unit cell angles	90.00, 119.74, 90.00

Refinement procedure

Resolution	48.980 - 3.380
R-factor	0.2062
Rwork	0.204
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zix
RMSD bond length	0.010
RMSD bond angle	1.370
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.380	3.560
High resolution limit [Å]	3.380	3.380
Rmerge	0.252	0.847
Number of reflections	96906
<I/σ(I)>	4.2	1.1
Completeness [%]	80.7	48.6
Redundancy	3.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	291	22 % MPD, 0.2 M AMACE, 0.1 M NACITRATE, PH 5.7