7JHN

Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with UDP and trisaccharide GlcNAc-beta1-3Gal-beta1-4GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	87
Detector technology	CCD
Collection date	2017-11-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	82.916, 76.865, 66.786
Unit cell angles	90.00, 105.82, 90.00

Refinement procedure

Resolution	39.894 - 2.200
R-factor	0.1984
Rwork	0.196
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jhi
RMSD bond length	0.004
RMSD bond angle	0.687
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.050	0.030	0.506
Rmeas	0.058	0.036	0.611
Rpim	0.030	0.019	0.337
Number of reflections	17836	1062	526
<I/σ(I)>	11.2
Completeness [%]	86.7	99.8	51.3
Redundancy	3.5	3.7	2.7
CC(1/2)		0.998	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	24% PEG1500, 20% glycerol