7Q6M

Structure of WrbA from Yersinia pseudotuberculosis in P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	110
Detector technology	CCD
Collection date	2013-09-11
Detector	MAR CCD 165 mm
Wavelength(s)	1.54179
Spacegroup name	P 1
Unit cell lengths	60.690, 63.860, 66.360
Unit cell angles	61.21, 77.90, 86.93

Refinement procedure

Resolution	43.860 - 2.040
R-factor	0.1756
Rwork	0.174
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r96
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.170	2.090
High resolution limit [Å]	2.030	2.030
Rmeas	0.079	0.154
Rpim	0.051	0.109
Number of reflections	123249	2434
<I/σ(I)>	1.17	1.72
Completeness [%]	91.4	59.7
Redundancy	2.5
CC(1/2)	0.995	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.01 M nickel chloride hexahydrate, 0.1 M Tris pH 8.5, 20 % w/v PEG MME 2000