8Q6S

A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	P 1 21 1
Unit cell lengths	77.382, 58.697, 89.539
Unit cell angles	90.00, 103.95, 90.00

Refinement procedure

Resolution	48.640 - 1.990
R-factor	0.1986
Rwork	0.194
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.121
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.640	2.061
High resolution limit [Å]	1.990	1.990
Number of reflections	50852	4674
<I/σ(I)>	8.66	0.64
Completeness [%]	94.2	85.19
Redundancy	5.4	4.4
CC(1/2)	0.998	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6.0, 20 mM NaCl, and 20-24% (w/v) PEG 6000