6FSN

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97956
Spacegroup name	H 3
Unit cell lengths	118.832, 118.832, 68.754
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.770 - 1.190
R-factor	0.211
Rwork	0.211
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv4
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP (11.5.04)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.170	1.340
High resolution limit [Å]	1.190	1.190
Rmerge	0.080	1.397
Rmeas	0.081	1.560
Rpim	0.035	0.689
Number of reflections	94855	13700
<I/σ(I)>	10.5	1.1
Completeness [%]	99.0	97.7
Redundancy	5.1	5
CC(1/2)	0.995	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.12 M Morpheus Screen Ethylene glycols 0.1 M Morpheus Screen Buffer System 3 pH 8.5 50% v/v Morpheus Screen Precipitant Mix