8P0O

Crystal structure of AaNGT complexed to UDP-Gal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	47.338, 113.331, 260.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.760
R-factor	0.17568
Rwork	0.174
R-free	0.20714
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.760	1.760
Rmerge	0.065	1.796
Number of reflections	139852	20146
<I/σ(I)>	14.2
Completeness [%]	99.9
Redundancy	7.7
CC(1/2)	0.999	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	magnesium chloride, HEPES, PEG 4000