3VMR

Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	130.423, 52.852, 54.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.598 - 3.688
R-factor	0.3036
Rwork	0.303
R-free	0.30920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hzs 3FWM 3fwl
RMSD bond length	0.005
RMSD bond angle	1.134
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]	28.598	3.830
High resolution limit [Å]	3.680	3.688
Number of reflections	4460
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	25mM Na malonate, 11.5% PEG3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K