6RTV

Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 41 21 2
Unit cell lengths	84.273, 84.273, 261.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.392 - 1.460
R-factor	0.183
Rwork	0.182
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pic
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]	49.170	49.170	1.480
High resolution limit [Å]	1.460	7.990	1.460
Rmerge	0.158	0.038	0.864
Rmeas	0.167	0.041	0.926
Rpim	0.053	0.014	0.324
Total number of observations	1584810	9860	61929
Number of reflections	163708	1207	7946
<I/σ(I)>	7.5	18.9	1.8
Completeness [%]	100.0	99.5	99.3
Redundancy	9.7	8.2	7.8
CC(1/2)	0.997	0.999	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M HEPES pH 7, 0.1 M KCl, 25% w/v SOKALAN CP7