5WB4

Crystal structure of the TarA wall teichoic acid glycosyltransferase

Experimental procedure

Experimental method	MAD
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	2017-04-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	77.030, 107.790, 89.440
Unit cell angles	90.00, 98.29, 90.00

Refinement procedure

Resolution	88.510 - 2.000
R-factor	0.221
Rwork	0.219
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.510	88.510	2.050
High resolution limit [Å]	2.000	8.930	2.000
Rmerge	0.153	0.087	0.618
Rmeas	0.172	0.096	0.697
Total number of observations	906103
Number of reflections	189973	2162	13284
<I/σ(I)>	7.23	14.29	2.49
Completeness [%]	98.1	99.5	92.8
Redundancy	4.77	5.136	4.531
CC(1/2)	0.989	0.994	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	20% PEG-1000, 100mM phosphate citrate, 200mM lithium sulfate