8TRX

Crystal structure of a CE15 glucuronoyl esterase from Piromyces rhizinflatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-02-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00334
Spacegroup name	P 61
Unit cell lengths	139.680, 139.680, 125.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.745 - 2.540
R-factor	0.2311
Rwork	0.229
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.083
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.745	46.745	2.710
High resolution limit [Å]	2.540	5.000	2.540
Rmerge	0.081	0.039	0.820
Rmeas	0.086	0.041	0.862
Number of reflections	45952	6102	8061
<I/σ(I)>	19.03	45.64	2.76
Completeness [%]	100.0	99.9	100
Redundancy	10.4	10.224	10.568
CC(1/2)	0.999	0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	20% PEG10000, 100 mM HEPES, pH 7.5