8TIC

Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	89.142, 92.394, 203.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.980 - 2.700
R-factor	0.2145
Rwork	0.212
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jhk
RMSD bond length	0.004
RMSD bond angle	0.665
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.980	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.392	2.503
Rmeas	0.415	2.639
Rpim	0.132	0.822
Number of reflections	46965	4559
<I/σ(I)>	6.2	1.1
Completeness [%]	99.9	100
Redundancy	9.6	10
CC(1/2)	0.979	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.17 M sodium acetate, 0.08 M Tris pH 8.5, 25.5% PEG 4000, 15% glycerol