6GS2

Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-20
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	107.100, 110.370, 116.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.056 - 2.040
R-factor	0.176
Rwork	0.175
R-free	0.21560
Structure solution method	SIRAS
RMSD bond length	0.011
RMSD bond angle	1.327
Data reduction software	XDS (VERSION May 1, 2016)
Data scaling software	XSCALE (VERSION May 1, 2016)
Phasing software	SHARP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.070	2.110
High resolution limit [Å]	2.040	2.040
Rmeas	0.113	1.634
Rpim	0.042	0.604
Number of reflections	88009	8685
<I/σ(I)>	14.6	1.6
Completeness [%]	99.7	99.5
Redundancy	7.3	7.3
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	277	100 mM Tris pH 8.6, 40% (w/v) PEG 8000, 350 mM magnesium chloride