5TZE

Crystal structure of S. aureus TarS in complex with UDP-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	57.510, 57.580, 86.480
Unit cell angles	83.81, 82.92, 61.88

Refinement procedure

Resolution	31.430 - 2.330
R-factor	0.1912
Rwork	0.189
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.668
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.430	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.080	0.474
Number of reflections	39577
<I/σ(I)>	9.91	2.1
Completeness [%]	95.0	96
Redundancy	2	2
CC(1/2)	0.933	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	0.2 mM lithium sulfate, 27% w/v PEG 3350, and 0.1 M Bis-Tris pH 5.5