5WFG

Crystal structure of the TarA wall teichoic acid glycosyltransferase bound to UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	64.930, 104.210, 90.130
Unit cell angles	90.00, 108.27, 90.00

Refinement procedure

Resolution	33.030 - 2.900
R-factor	0.204
Rwork	0.200
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.140
Data scaling software	XSCALE
Phasing software	PHASER (2.6.1)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.030	33.030	2.970
High resolution limit [Å]	2.890	12.930	2.890
Rmerge	0.074	0.020	0.646
Rmeas	0.105	0.028	0.911
Number of reflections	44606	477	2987
<I/σ(I)>	7.23	26.6	1.04
Completeness [%]	88.7	86.1	79.1
Redundancy	1.601	1.616	1.567
CC(1/2)	0.995	0.998	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	40% PEG-300, 200mM calcium acetate hydrate, 100mM sodium cacodylate