6RU2

Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor

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	2018-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91837
Spacegroup name	P 41 21 2
Unit cell lengths	84.450, 84.450, 262.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.554 - 1.960
R-factor	0.1791
Rwork	0.178
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rtv
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.310	49.310	2.010
High resolution limit [Å]	1.960	9.190	1.960
Rmerge	0.261	0.081	1.183
Rmeas	0.278	0.087	1.261
Rpim	0.092	0.030	0.430
Total number of observations	590244	5767	36820
Number of reflections	68208	797	4422
<I/σ(I)>	5.8	14.3	1.6
Completeness [%]	98.9	99.2	97.8
Redundancy	8.7	7.2	8.3
CC(1/2)	0.990	0.997	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M ammonium acetate, 0.1 M bis-tris pH 5.5, 17% PEG10000