6H5E

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

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	2017-02-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	109.720, 109.740, 123.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.075 - 2.139
R-factor	0.1927
Rwork	0.192
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs2
RMSD bond length	0.011
RMSD bond angle	1.424
Data reduction software	XDS (Version May1, 2016)
Data scaling software	XDS (Version May1, 2016)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.216
High resolution limit [Å]	2.139	2.139
Rmeas	0.116	2.369
Rpim	0.031	0.661
Number of reflections	82581	8030
<I/σ(I)>	19.37	1.23
Completeness [%]	99.8	97.95
Redundancy	13.5	12.6
CC(1/2)	1.000	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.1	277	100 mM Tris pH 9.1 350 mM MgCl2 18 % PEG 8000 13 % Glycerol