2VS5

THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-09
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	87.027, 91.370, 94.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.570 - 1.820
R-factor	0.236
Rwork	0.236
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4v
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.820	1.820
Rmerge	0.100	0.520
Number of reflections	68394
<I/σ(I)>	7.8	2.5
Completeness [%]	97.9	97.9
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		PROTEIN: 10 % GLYCEROL, 20 MM MES-NAOH PH 6.0, 10 MM MNCL2, 10 MM UDP-GAL, MOTHER LIQUOR: 10 % PEG 6000, 0.1 M TRIS-HCL PH 8.0, 8 % MPD