6AEM

Crystal structure of the PKD1 domain of Vibrio anguillarum Epp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	C 1 2 1
Unit cell lengths	71.096, 46.069, 41.616
Unit cell angles	90.00, 97.39, 90.00

Refinement procedure

Resolution	35.253 - 1.272
R-factor	0.1526
Rwork	0.151
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l9d
RMSD bond length	0.010
RMSD bond angle	1.147
Data reduction software	XDS (Nov 11, 2017, built on 20171111)
Data scaling software	Aimless ((version 0.5.29), CCP4 7.0.026)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.566	1.277
High resolution limit [Å]	1.272	1.272
Rmerge	0.065	0.924
Rmeas	0.070	1.001
Rpim	0.027	0.381
Number of reflections	33927	308
<I/σ(I)>	19.3	2.1
Completeness [%]	96.7	85.3
Redundancy	6.7	6.8
CC(1/2)	0.999	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	21mg/ml protein in 10 mM HEPES (pH 7.5), 150 mM NaCl, 1 mM DTT was mixed with 0.1 M sodium cacodylate pH 6.5, 18% PEG8000 (w/v), 0.2 M zinc acetate in 1:1 volume ratio