6H2L

Receptor-binding domain of Proteus mirabilis Uroepithelial Cell Adhesin UcaD21-217

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 X 2M
Wavelength(s)	0.873
Spacegroup name	P 1
Unit cell lengths	30.473, 49.828, 61.833
Unit cell angles	86.45, 74.51, 75.52

Refinement procedure

Resolution	37.400 - 1.500
R-factor	0.2149
Rwork	0.214
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h1x
RMSD bond length	0.007
RMSD bond angle	0.697
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]	37.400	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.118	0.965
Rmeas	0.139	1.140
Rpim	0.072	0.597
Number of reflections	52581	5178
<I/σ(I)>	7.08	1.3
Completeness [%]	96.6	94.8
Redundancy	3.7	3.5
CC(1/2)	0.994	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	2 M ammonium sulphate, 0.1 M bis-Tris pH 5.5