6FTB

Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	H 3 2
Unit cell lengths	114.422, 114.422, 128.844
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.120 - 2.100
R-factor	0.199
Rwork	0.197
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hzs
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.0)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.120	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	45531
<I/σ(I)>	13.6	3.2
Completeness [%]	99.9	100
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	SA MGT E100Q (10 MG/ML) WAS MIXED WITH 1MM MOENOMYCIN AND 1MM MNCL2 AND INCUBATED ON ICE FOR ~3 HOURS. PRECIPITATED MATERIAL WAS REMOVED BY CENTRIFUGATION AT 16, 000XG FOR 5 MINUTES. THE MOENOMYCIN COMPLEX WAS CRYSTALLIZED BY HANGING DROP VAPOR DIFFUSION, MIXING THE PROTEIN 1:1 WITH A RESERVOIR SOLUTION CONTAINING 0.1M NA ACETATE PH 4.6, 0.2M NACL, 30% MPD AT 295 K.