7ZLE

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	H 3
Unit cell lengths	119.586, 119.586, 67.234
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.600 - 1.823
R-factor	0.2122
Rwork	0.211
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fsn
RMSD bond length	0.009
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.390	1.970
High resolution limit [Å]	1.823	1.870
Rmerge	0.200	1.248
Rmeas	0.211	1.395
Rpim	0.066	0.619
Number of reflections	29832	3816
<I/σ(I)>	10.7	1.4
Completeness [%]	99.4	87.7
Redundancy	8.9	5
CC(1/2)	0.994	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.12 M Alcohols, 0.1 M Buffer System 2 pH 7.5, 37.5% v/v Precipitant Mix 1 (Morpheus condition 1-41)