5H18

Crystal structure of catalytic domain of UGGT (UDP-glucose-bound form) from Thermomyces dupontii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2016-05-23
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	45.470, 47.240, 129.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.144
Rwork	0.142
R-free	0.17400
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.592
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.270	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.140	0.600
Number of reflections	56063
<I/σ(I)>	7.7	2.6
Completeness [%]	100.0	100
Redundancy	7.1	7
CC(1/2)	0.994	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	24% PEG 3350, 100 mM Tris-HCl (pH 9.0)