5TZI

Crystal structure of S. aureus TarS 1-349

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)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	98.657, 58.656, 86.676
Unit cell angles	90.00, 97.01, 90.00

Refinement procedure

Resolution	44.976 - 2.300
R-factor	0.2157
Rwork	0.214
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.687
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]	44.980	44.980	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.071	0.019	0.738
Rmeas	0.083
Rpim	0.043
Total number of observations	100763
Number of reflections	27265
<I/σ(I)>	12.2
Completeness [%]	94.7	98.4	75.5
Redundancy	3.7	3.4	3.6
CC(1/2)	0.998	0.999	0.756

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