6SYR

The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with D-glucuronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.918374
Spacegroup name	P 1
Unit cell lengths	43.215, 44.189, 50.172
Unit cell angles	75.78, 65.42, 70.85

Refinement procedure

Resolution	32.690 - 1.490
R-factor	0.1859
Rwork	0.183
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs0
RMSD bond length	0.009
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.15.2_3472)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.690	1.543
High resolution limit [Å]	1.490	1.490
Rmerge	0.061	1.416
Rmeas	0.072
Rpim	0.037	0.832
Number of reflections	47249	18505
<I/σ(I)>	9.88	0.82
Completeness [%]	91.2	91.36
Redundancy	3.8	3.9
CC(1/2)	0.999	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Based on the Morpheus screen from Molecular Dimensions: G12 - 0.1 M Carboxylic acids, 0.1 M Buffer System 3, pH 8.5, 50 % v/v Precipitant Mix 4