6GU8

Glucuronoyl Esterase from Solibacter usitatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	54.579, 54.579, 284.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.288 - 2.018
R-factor	0.185924125236
Rwork	0.184
R-free	0.24859
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.158
Data reduction software	XDS (BUILT=20180126)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.090
High resolution limit [Å]	2.018	2.020
Rmerge	0.069	0.426
Number of reflections	59163	5723
<I/σ(I)>	9.27	1.35
Completeness [%]	100.0	99.65
Redundancy	2	2
CC(1/2)	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	Reservoir composition: 0.02 M D-glucose, 0.02 M D-mannose, 0.02 M D-galactose, 0.02 M L-fucose, 0.02 M D-xylose, 0.02 M N-acetyl-D-glucosamine, 0.05 M Tris, 0.05 M BICINE, 20% v/v PEG500MME, 10% w/v PEG20000 Drop size and composition: Sitting drops of 0.3 ul were mixed in a protein:reservoir volume ratio of 1:1 using 23.6 mg/mL of SuCE15C-SeMet in 20 mM TRIS pH 8.0