3VMS

Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with NBD-Lipid II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	66.878, 67.159, 140.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.934 - 3.202
R-factor	0.2649
Rwork	0.262
R-free	0.32980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hzs 3FWM 3fwl
RMSD bond length	0.006
RMSD bond angle	1.016
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.200
Number of reflections	10888
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100mM MgCl2, 100mM HEPES, 25% PEG400, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K