6TRT

Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) double cysteine mutant S180C/T742C.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96861
Spacegroup name	P 32 1 2
Unit cell lengths	148.799, 148.799, 235.546
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	128.860 - 4.580
R-factor	0.2911
Rwork	0.291
R-free	0.29680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv4
RMSD bond length	0.006
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.864	5.130
High resolution limit [Å]	4.580	4.580
Rmerge	0.118	1.563
Rmeas	0.125	1.650
Rpim	0.042	0.523
Number of reflections	9520	476
<I/σ(I)>	10.6	1.6
Completeness [%]	90.1
Redundancy	8.9
CC(1/2)	0.995	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	2 mM Lanthanides (0.005M Yttrium(III) chloride hexahydrate, 0.005M Erbium(III) chloride hexahydrate, 0.005M Terbium(III) chloride hexahydrate, 0.005M Ytterbium(III) chloride hexahydrate), 0.1 M Buffer System 6 (Gly-Gly, AMPD pH 8.5), 36 % v/v Precipitant Mix 5 (30% w/v PEG 3000, 40% v/v 1, 2, 4- Butanetriol, 2% w/v NDSB 256