6Y4F

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 ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	26.655, 54.490, 79.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.050 - 1.750
R-factor	0.1543
Rwork	0.153
R-free	0.18260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6y4e
RMSD bond length	0.003
RMSD bond angle	0.704
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18rc1_3777)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.050	1.813
High resolution limit [Å]	1.750	1.750
Rmerge	0.108	0.563
Rmeas	0.118	0.614
Rpim	0.046	0.242
Number of reflections	12317	7707
<I/σ(I)>	12.7	2.12
Completeness [%]	99.0	93.75
Redundancy	6.3	6.4
CC(1/2)	0.997	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Morpheus HT screen (Molecular Dimensions, UK) condition D9 (0.02 M 1,6-hexanediol, 0.02 M 1-butanol, 0.02 M 1,2-propanediol, 0.02 M 2-propanol, 0.02 M 1,4-butanediol, 0.02 M 1,3-propanediol, 0.1 M bicine/Trizma base pH 8.5, 10% w/v PEG 20000 and 20% v/v PEG MME 550)