6OV3

Crystal structure of human claudin-9 in complex with Clostridium perfringens entertoxin C-terminal domain in open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 21
Unit cell lengths	70.981, 114.817, 115.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.125 - 3.250
R-factor	0.3013
Rwork	0.301
R-free	0.30770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model and PDB entry 3AM2
RMSD bond length	0.004
RMSD bond angle	0.958
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.980	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.127	4.941
Rmeas	0.139	5.397
Rpim	0.056	2.146
Number of reflections	16155	2877
<I/σ(I)>	3.9
Completeness [%]	100.0	100
Redundancy	6.1	6.2
CC(1/2)	0.999	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	150 mM sodium acetate, sodium cacodylate, Bis-Tris propane, pH 4.5, 25% PEG1500