5TZJ

Crystal structure of S. aureus TarS 1-349 in complex with UDP-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-15
Detector	RAYONIX MX-300
Wavelength(s)	0.984
Spacegroup name	P 1
Unit cell lengths	57.002, 57.370, 86.786
Unit cell angles	83.03, 84.55, 62.26

Refinement procedure

Resolution	48.558 - 1.900
R-factor	0.1913
Rwork	0.189
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.222
Data reduction software	xia2
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.560	48.560	1.940
High resolution limit [Å]	1.900	9.310	1.900
Rmerge	0.062	0.024	0.857
Rmeas	0.088
Rpim	0.062
Total number of observations	143292
Number of reflections	71901
<I/σ(I)>	7.6
Completeness [%]	94.6	95.3	93.8
Redundancy	2	2	2
CC(1/2)	0.997	0.997	0.396

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