6OV2

Crystal structure of human claudin-9 in complex with Clostridium perfringens entertoxin C-terminal domain in closed 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	2017-08-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 21
Unit cell lengths	70.940, 111.570, 121.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.096 - 3.200
R-factor	0.2821
Rwork	0.281
R-free	0.29140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model and PDB entry 3AM2
RMSD bond length	0.003
RMSD bond angle	0.769
Data reduction software	XDS (0.82)
Data scaling software	XSCALE (January 26, 2018)
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	3.240
High resolution limit [Å]	3.160	3.160
Rmeas	0.041	6.589
Number of reflections	30828	2276
<I/σ(I)>	5.8	0.18
Completeness [%]	96.4	96.9
Redundancy	9.6	6
CC(1/2)	0.990	0.123

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