6TRF

Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) purified from cells treated with kifunensine.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-05-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	78.655, 148.928, 190.298
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.149 - 4.106
R-factor	0.2577
Rwork	0.255
R-free	0.31540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv4
RMSD bond length	0.006
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.149	4.493
High resolution limit [Å]	4.106	4.106
Rmerge	0.149	3.268
Rmeas	0.157	3.376
Rpim	0.047	0.836
Number of reflections	7500	271
<I/σ(I)>	9.9	1.3
Completeness [%]	90.2	72.4
Redundancy	10.9	15.9
CC(1/2)	0.997	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.03M Sodium nitrate, 0.03 Sodium phosphate dibasic, 0.03M Ammonium sulfate; Tris Bicine pH 8.5; 40% v/v Glycerol, 20% w/v PEG 4000