6TS8

Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) double cysteine mutant G177C/A786C.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 43
Unit cell lengths	139.047, 139.047, 176.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	139.040 - 4.600
R-factor	0.20472
Rwork	0.203
R-free	0.23403
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv4
RMSD bond length	0.010
RMSD bond angle	1.595
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	139.050	5.576
High resolution limit [Å]	4.590	4.717
Rmerge	0.278	1.255
Rmeas	0.316	1.338
Rpim	0.147	0.520
Number of reflections	22051	1744
<I/σ(I)>	4.6	1.5
Completeness [%]	87.8	69.3
Redundancy	4.3	6.8
CC(1/2)	0.982	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	291	16.54% w/v PEG 4,000, 0.03 M citric acid pH 5.3, 0.07 M citric Acid pH 6.0, 12.75% v/v isopropanol