6XHK

Crystal structure of S. aureus TarJ in complex with NADPH

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	2017-10-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 62 2 2
Unit cell lengths	99.237, 99.237, 268.757
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.794 - 3.000
R-factor	0.2079
Rwork	0.205
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ilk
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]	48.794	3.107
High resolution limit [Å]	3.000	3.000
Rpim	0.044	0.765
Number of reflections	16503	1613
<I/σ(I)>	17.22	1.42
Completeness [%]	99.8	99.94
Redundancy	18.9
CC(1/2)	0.998	0.576

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, 5 mM NADPH