6EOU

O-GlcNAc transferase TPR domain with the intellectual disability associated mutation L254F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.966
Spacegroup name	C 2 2 21
Unit cell lengths	45.000, 203.162, 116.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	101.580 - 1.750
R-factor	0.19268
Rwork	0.191
R-free	0.22681
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w3b
RMSD bond length	0.024
RMSD bond angle	2.068
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless (7.0.010)
Phasing software	MOLREP (7.0.010)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.050	0.570
Rmeas	0.060	0.730
Rpim	0.040	0.450
Number of reflections	54404	3067
<I/σ(I)>	13	2
Completeness [%]	99.7	99.8
Redundancy	4.1	4.1
CC(1/2)	1.000	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295.2	0.1 M Na-HEPES and 0.1 M MOPS-HCl pH 7,5, 0.04 M diethylene glycol, 0.04 M triethylene glycol, 0.04 M tetraethylene glycol, 0.04 M pentaethylene glycol, 20 % v/v ethylene glycol and 10 % w/v PEG 4000