5NRB

A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	132.963, 65.646, 82.654
Unit cell angles	90.00, 102.92, 90.00

Refinement procedure

Resolution	58.560 - 2.240
R-factor	0.2015
Rwork	0.199
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nr9
RMSD bond length	0.002
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2219: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.560	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.091	0.582
Number of reflections	33428	3298
<I/σ(I)>	9.32	2.22
Completeness [%]	99.0	99
Redundancy	3.3	3.3
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.02 M L-Na-glutamate, 0.02 M alanine (racemic), 0.02 M glycine, 0.02 M L-lysine (racemic), 0.02 M serine (racemic), 0.1 M Sodium HEPES-MOPS (acid) mix pH 7.5, 20% (v/v) glycerol and 10% (w/v) PEG 4000.