9DAS

Crystal structure of vWFA domain from large adhesion protein of Aeromonas hydrophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03318
Spacegroup name	C 1 2 1
Unit cell lengths	71.235, 156.288, 57.496
Unit cell angles	90.00, 99.23, 90.00

Refinement procedure

Resolution	45.970 - 1.400
R-factor	0.192
Rwork	0.191
R-free	0.20690
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.808
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.21_5207: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.950	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.075
Rmeas	0.080
Rpim	0.029	0.746
Number of reflections	119428	5790
<I/σ(I)>	17.9	1.2
Completeness [%]	98.6	97
Redundancy	7.6	7.6
CC(1/2)	1.000	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	20% PEG3350, 0.2M CaCl2
1	MICROBATCH		295	20% PEG3350, 0.2M CaCl2