8ZWP

Structure-Based Mechanism and Specificity of Human Galactosyltransferase B3GalT5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-02
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	47.646, 86.360, 87.187
Unit cell angles	90.00, 95.47, 90.00

Refinement procedure

Resolution	28.930 - 1.860
R-factor	0.2005
Rwork	0.199
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.067	0.724
Number of reflections	58604	5703
<I/σ(I)>	21.95	2.13
Completeness [%]	99.4	97.7
Redundancy	5.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1M BIS-TRIS Propane pH8.5, 0.2M Potassium Sodium Tartrate, 20% w/v PEG 3350