6H1X

Receptor-binding domain of Proteus mirabilis Uroepithelial Cell Adhesin UcaD21-211

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	I 41 2 2
Unit cell lengths	73.350, 73.350, 153.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.890 - 1.700
R-factor	0.1984
Rwork	0.197
R-free	0.22010
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.675
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.890	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.116	1.164
Rmeas	0.125	1.255
Rpim	0.046	0.464
Number of reflections	23405	2269
<I/σ(I)>	10.18	1.2
Completeness [%]	99.8	99.21
Redundancy	7.3	7.2
CC(1/2)	0.998	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.005 M CoCl2, 1 M HEPES pH 7.5, 10-15% PEG 3350