7ZLU

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-2-deoxy-2-fluoro-D-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97956
Spacegroup name	P 1
Unit cell lengths	68.159, 72.316, 72.393
Unit cell angles	110.48, 108.33, 108.26

Refinement procedure

Resolution	41.160 - 2.049
R-factor	0.228
Rwork	0.226
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fsn
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS (Nov 11, 2017)
Data scaling software	Aimless (0.6.2)
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.160	2.320
High resolution limit [Å]	2.060	2.060
Rmerge	0.054	0.423
Rmeas	0.076	0.599
Rpim	0.054	0.423
Number of reflections	39166	3486
<I/σ(I)>	8.4	1.6
Completeness [%]	81.1	45.9
Redundancy	1.8	1.8
CC(1/2)	0.998	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.12 M Monosaccharides, 0.1 M Buffer System 2 pH 7.5, 30% v/v Precipitant Mix 1, (Morpheus condition 2-17), 1.25 mM U2F