8TSE

Crystal structure of a CE15 glucuronoyl esterase from Ruminococcus flavefaciens

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 21 21 21
Unit cell lengths	51.950, 60.870, 124.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.971 - 1.250
R-factor	0.1707
Rwork	0.170
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.813
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.971	47.971	1.360
High resolution limit [Å]	1.250	5.000	1.250
Rmerge	0.088	0.035
Rmeas	0.095	0.038	0.967
Number of reflections	110196	1911	24335
<I/σ(I)>	11.27	35.04	1.85
Completeness [%]	100.0	99.9	100
Redundancy	7	6.79
CC(1/2)	0.999	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	11% isopropanol, 20% PEG4000, 100 mM HEPES, pH 7.5