8TJC

Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 8a

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	2019-08-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	89.410, 93.876, 205.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.010 - 2.200
R-factor	0.2295
Rwork	0.227
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jhk
RMSD bond length	0.002
RMSD bond angle	0.588
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]	47.010	2.400
High resolution limit [Å]	2.200	2.200
Rmerge	0.161
Rmeas	0.168
Rpim	0.046
Number of reflections	88402	4513
<I/σ(I)>	11	0.8
Completeness [%]	100.0	100
Redundancy	13.3	13.8
CC(1/2)	0.999	0.398

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1 M Tris 8.8, 0.16 M Sodium acetate, 25% PEG4000, 15% glycerol