6MAE

CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	36.002, 67.346, 62.864
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	62.860 - 1.800
R-factor	0.1614
Rwork	0.159
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.350	67.350	1.980
High resolution limit [Å]	1.800	4.420	1.800
Rmerge	0.095	0.034	0.503
Rmeas	0.111	0.040	0.587
Rpim	0.057	0.021	0.301
Number of reflections	27108	1928	6385
<I/σ(I)>	11.9
Completeness [%]	97.8	98.7	97.1
Redundancy	3.8	3.6	3.8
CC(1/2)	0.997	0.998	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M MES PH 6.5, 20% PEG4000, 0.6M SODIUM CHLORIDE