3VMT

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-20
Detector	Bruker DIP-6040
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	66.493, 67.429, 152.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.079 - 2.299
R-factor	0.1993
Rwork	0.197
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hzs 3FWM 3fwl
RMSD bond length	0.019
RMSD bond angle	0.931
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	Outer shell
Low resolution limit [Å]	29.260	2.381
High resolution limit [Å]	2.290	2.299
Number of reflections	30750
Completeness [%]	98.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100mM MgCl2, 100mM HEPES, 25% PEG400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K