5NR9

A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (alpha-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - Unliganded alpha-3GalT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	C 1 2 1
Unit cell lengths	134.947, 66.293, 83.933
Unit cell angles	90.00, 102.59, 90.00

Refinement procedure

Resolution	81.910 - 1.700
R-factor	0.189
Rwork	0.187
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o7q
RMSD bond length	0.012
RMSD bond angle	1.035
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]	81.910	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.081	0.990
Number of reflections	79440	7832
<I/σ(I)>	10.11
Completeness [%]	100.0	100
Redundancy	3.3	3.3
CC(1/2)	0.998	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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