7JHI

Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 iodide-derivative

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]	87
Detector technology	PIXEL
Collection date	2017-09-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.85
Spacegroup name	P 1 21 1
Unit cell lengths	67.431, 81.385, 157.138
Unit cell angles	90.00, 98.63, 90.00

Refinement procedure

Resolution	47.330 - 2.500
R-factor	0.2039
Rwork	0.202
R-free	0.24760
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.592
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.330	47.330	2.570
High resolution limit [Å]	2.500	10.900	2.500
Rmerge	0.146	0.049	1.360
Rmeas	0.152	0.051	1.418
Rpim	0.042	0.014	0.397
Total number of observations	772620	9070	56383
Number of reflections	58434	752	4497
<I/σ(I)>	17.7	71.6	2
Completeness [%]	100.0	98.8	100
Redundancy	13.2	12.1	12.5
CC(1/2)	0.998	0.999	0.753

Crystallization Conditions

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