8SZ3

Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j

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	2019-03-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	82.375, 76.405, 128.019
Unit cell angles	90.00, 102.58, 90.00

Refinement procedure

Resolution	29.140 - 2.320
R-factor	0.2627
Rwork	0.261
R-free	0.28740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jhk
RMSD bond length	0.004
RMSD bond angle	0.727
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]	29.140	2.400
High resolution limit [Å]	2.320	2.320
Rmerge	0.064	0.462
Rmeas	0.076	0.557
Rpim	0.041	0.309
Number of reflections	33310	3035
<I/σ(I)>	11.9	2.5
Completeness [%]	98.4	92.6
Redundancy	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1 M Hepes pH 7.0, 0.2 M Sodium Acetate, 17% PEG 4000, 15% glycerol