6AKF

Crystal structure of mouse claudin-3 P134A mutant in complex with C-terminal fragment of Clostridium perfringens enterotoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	69.540, 127.450, 165.700
Unit cell angles	90.00, 104.53, 90.00

Refinement procedure

Resolution	46.660 - 3.900
R-factor	0.2758
Rwork	0.274
R-free	0.31200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ake
RMSD bond length	0.011
RMSD bond angle	1.593
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.660	4.040
High resolution limit [Å]	3.900	3.900
Rmerge	0.091	1.032
Rmeas	0.109	1.244
Rpim	0.059	0.682
Number of reflections	25301	2529
<I/σ(I)>	8.17	1.32
Completeness [%]	98.5	99.49
Redundancy	3.3	3.3
CC(1/2)	0.999	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293.15	HEPES, Sodium acetate, Magnesium nitrate, PEG 3350