7Q6O

Structure of WrbA from Yersinia pseudotuberculosis in C2221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-16
Detector	MAR CCD 165 mm
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	92.170, 109.860, 87.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.010 - 1.990
R-factor	0.1786
Rwork	0.177
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r96
RMSD bond length	0.012
RMSD bond angle	1.327
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]	55.010	2.040
High resolution limit [Å]	1.990	1.990
Rmeas	0.099	0.763
Rpim	0.058	0.445
Number of reflections	58533	2157
<I/σ(I)>	12.1	2.1
Completeness [%]	99.9
Redundancy	5.2
CC(1/2)	0.998	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 mM sodium acetate trihydrate, 0.1 M sodium cacodylate pH 6.5, 30% PEG8000