6XH9

Crystal structure of S. aureus TarJ

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	PIXEL
Collection date	2017-10-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 62 2 2
Unit cell lengths	99.483, 99.483, 268.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.909 - 3.200
R-factor	0.2091
Rwork	0.208
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ilk
RMSD bond length	0.010
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.909	3.315
High resolution limit [Å]	3.200	3.200
Rpim	0.058	0.573
Number of reflections	13739	1340
<I/σ(I)>	13.44	1.46
Completeness [%]	99.9
Redundancy	18.9
CC(1/2)	0.999	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	1.1 M ammonium phosphate monobasic, 0.1 M sodium citrate pH 5.6