5UHO

Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with PUGNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	97.340, 97.340, 260.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.380 - 3.210
R-factor	0.2
Rwork	0.197
R-free	0.25900
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	130.000	3.220
High resolution limit [Å]	3.210	3.210
Rmerge	0.091	1.072
Number of reflections	21392
<I/σ(I)>	22.4	2.3
Completeness [%]	100.0	100
Redundancy	12.8	13.3
CC(1/2)	0.997	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14-17% PEG 3350, 0.2 M Mg Formate