3X29

CRYSTAL STRUCTURE of MOUSE CLAUDIN-19 IN COMPLEX with C-TERMINAL FRAGMENT OF CLOSTRIDIUM PERFRINGENS ENTEROTOXIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-11
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	79.860, 122.357, 132.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.738 - 3.700
R-factor	0.2551
Rwork	0.251
R-free	0.29260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CLDN15 AND CPE WITH 202 N-TERM RESIDUES DELETED
RMSD bond length	0.002
RMSD bond angle	0.645
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.738	3.830
High resolution limit [Å]	3.700	3.700
Rmerge	0.057	0.399
Number of reflections	14027
<I/σ(I)>	23.6	2.1
Completeness [%]	97.3	92.5
Redundancy	5.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	293	17.5% PEG1500, 100mM sodium citrate, 100mM Mg(NO3)2, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K