7ZKC

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (apo form)

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	118.825, 118.825, 68.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.130 - 1.769
R-factor	0.2061
Rwork	0.205
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv4
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS (JUN 1, 2017)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP (11.5.04)
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

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	0.150	2.250
Number of reflections	35287	5115
<I/σ(I)>	10.5	1.1
Completeness [%]	99.0	97.7
Redundancy	5.1	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.06M Divalents, 0.1 M Buffer System 1, 30% v/v Precipitant Mix 1 (Morpheus Screen condition 1-1)