5TZ8

Crystal structure of S. aureus TarS

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	2015-05-02
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	71.851, 191.468, 97.025
Unit cell angles	90.00, 109.50, 90.00

Refinement procedure

Resolution	33.066 - 4.000
R-factor	0.2815
Rwork	0.280
R-free	0.30570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.622
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.900	35.900	4.380
High resolution limit [Å]	4.000	9.800	4.000
Rmerge	0.123	0.027	0.665
Rmeas	0.146
Rpim	0.077
Total number of observations	72521
Number of reflections	20792
<I/σ(I)>	8
Completeness [%]	99.6	97.6	99.7
Redundancy	3.5	3.4	3.5
CC(1/2)	0.997	0.998	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.2M ammonium chloride, 15% w/v PEG 6000, 0.15M Tricine (pH 8.0), and 0.4M NDSB 195