4X7M

Crystal structure of S. aureus TarM G117R mutant in complex with UDP and UDP-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-01
Detector	RAYONIX MX300HE
Wavelength(s)	0.978
Spacegroup name	P 1
Unit cell lengths	44.072, 90.944, 94.441
Unit cell angles	109.27, 99.03, 101.53

Refinement procedure

Resolution	46.040 - 2.400
R-factor	0.2348
Rwork	0.233
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.040	46.040	2.480
High resolution limit [Å]	2.400	9.600	2.400
Rmerge	0.031	0.013	0.448
Rpim	0.031	0.013	0.448
Total number of observations	97880	1483	9180
Number of reflections	49087
<I/σ(I)>	16.3	57.5	2
Completeness [%]	95.3	92.3	96.5
Redundancy	2	2	2
CC(1/2)	0.999	0.999	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 MES pH 6.5, 10-14 % w/v PEG 20000