5C1D

Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.9677
Spacegroup name	F 2 2 2
Unit cell lengths	138.527, 151.611, 200.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.200 - 2.050
R-factor	0.19625
Rwork	0.195
R-free	0.22864
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pe4
RMSD bond length	0.010
RMSD bond angle	1.381
Data reduction software	XDS (0.5)
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.070	0.826
Number of reflections	65809
<I/σ(I)>	17.4	2.5
Completeness [%]	100.0	100
Redundancy	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	294.15	1.45 M Potassium diohydrogen phosphate, 8 mM EDTA, 1% xylitol (reservoir). 1.45 M Potassium diohydrogen phosphate, 8 mM EDTA, 1% xylitol, 0.5 M Ammonium sulfate (drop)