6E37

O-GlcNAc Transferase in complex with covalent inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.07822
Spacegroup name	F 2 2 2
Unit cell lengths	137.656, 150.984, 198.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.525 - 2.531
R-factor	0.1693
Rwork	0.167
R-free	0.21120
RMSD bond length	0.008
RMSD bond angle	0.968
Data scaling software	HKL-2000 (2.3.8)
Refinement software	PHENIX ((1.14rc1_3161: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Number of reflections	34188
<I/σ(I)>	16	2.5
Completeness [%]	99.8	99.9
Redundancy	13.3	12.1
CC(1/2)	0.992	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.45 M potassium phosphate dibasic 10 mM EDTA 1% xylitol