5N2J

UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (closed form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92821
Spacegroup name	P 43
Unit cell lengths	148.600, 148.600, 179.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.590 - 4.400
R-factor	0.203
Rwork	0.201
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n2j
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	179.970	4.500
High resolution limit [Å]	4.300	4.300
Rmerge	0.783	3.548
Rmeas	0.812	3.679
Rpim	0.217	0.967
Number of reflections	26703
<I/σ(I)>	4.9	1.3
Completeness [%]	100.0	100
Redundancy	13.9	14.4
CC(1/2)	0.980	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Morpheus Amino acids mix, 0.1 M Morpheus Buffer System 2 pH 7.5, 50 % v/v Morpheus Precipitant Mix 4, i.e. 12.5% v/v MPD; 12.5% w/v PEG 1000, 12.5% w/v PEG 3350