7ZHB

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978570
Spacegroup name	H 3
Unit cell lengths	121.442, 121.442, 62.117
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.260 - 1.890
R-factor	0.1853
Rwork	0.184
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fsn
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	Aimless (0.5.3)
Phasing software	autoBUSTER (2.10.4)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.720	2.030
High resolution limit [Å]	1.890	1.890
Rmerge	0.070	1.110
Rmeas	0.070	1.250
Number of reflections	24990	3379
<I/σ(I)>	11	1.2
Completeness [%]	96.7
Redundancy	5
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus condition 1-40 (0.12 M Alcohols, 0.1 M Buffer System 1 pH 482 6.5, 37.5% v/v Precipitant Mix 4)