6UEX

Crystal structure of S. aureus LcpA in complex with octaprenyl-pyrophosphate-GlcNAc

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	CCD
Collection date	2017-01-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	89.245, 90.543, 94.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.377 - 1.900
R-factor	0.1939
Rwork	0.192
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nxh
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.380	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.050	1.514
Number of reflections	30587	3021
<I/σ(I)>	16.31	1.36
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.998	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	298	2.4 M ammonium sulfate, 0.08 M citric acid pH 5.2