6XHP

Crystal structure of S. aureus TarI (space group C121)

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	2018-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	145.960, 37.905, 87.507
Unit cell angles	90.00, 115.06, 90.00

Refinement procedure

Resolution	42.950 - 1.900
R-factor	0.1937
Rwork	0.192
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jis
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]	42.950	1.968
High resolution limit [Å]	1.900	1.900
Rpim	0.052	0.619
Number of reflections	34543	3387
<I/σ(I)>	9.14
Completeness [%]	99.4	99.06
Redundancy	3.2	3
CC(1/2)	0.998	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	0.1 M MIB buffer, pH 9, 25% PEG1500