7ZXW

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-03-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	H 3
Unit cell lengths	118.009, 118.009, 68.373
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.010 - 2.246
R-factor	0.2048
Rwork	0.203
R-free	0.24050
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6fsn
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.270	2.670
High resolution limit [Å]	2.246	2.246
Rmerge	0.146	0.806
Rmeas	0.226	1.140
Rpim	0.160	0.510
Number of reflections	16926	2464
<I/σ(I)>	2.4	0.7
Completeness [%]	92.6	92.6
Redundancy	1.8	1.8
CC(1/2)	0.970	0.423

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	20.6% v/v PEG 500 MME; 10.3 % w/v PEG 20000, Tris-Bicine 0.1 M pH 8.5