6Y4E

X-ray structure of the Zn-dependent receptor-binding domain of Proteus mirabilis MR/P fimbrial adhesin MrpH

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	2014-07-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	25.561, 53.139, 40.158
Unit cell angles	90.00, 102.83, 90.00

Refinement procedure

Resolution	39.150 - 1.020
R-factor	0.1081
Rwork	0.107
R-free	0.12820
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXDE
Refinement software	PHENIX (1.18rc1_3777)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.150	1.056
High resolution limit [Å]	1.020	1.020
Rmerge	0.046	0.549
Rmeas	0.052	0.629
Rpim	0.023	0.300
Number of reflections	52285	20712
<I/σ(I)>	15	2.31
Completeness [%]	98.2	95.05
Redundancy	4.6	4.1
CC(1/2)	0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Morpheus HT screen (Molecular Dimensions, UK) condition C9 (0.03 M sodium nitrate, 0.03 M sodium phosphate dibasic and 0.03 M ammonium sulfate, 0.1 bicine/Trizma base pH 8.5, 10% w/v PEG 20000 and 20% v/v PEG MME 550).