6SYU

The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with xylobiose

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 1
Unit cell lengths	43.686, 44.340, 50.979
Unit cell angles	77.24, 67.27, 70.58

Refinement procedure

Resolution	41.580 - 1.330
R-factor	0.1214
Rwork	0.119
R-free	0.14460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs0
RMSD bond length	0.008
RMSD bond angle	1.021
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]	41.580	1.380
High resolution limit [Å]	1.330	1.330
Rmerge	0.048	0.166
Rmeas	0.057	0.222
Rpim	0.030	0.146
Number of reflections	57996	1682
<I/σ(I)>	15.38	3.4
Completeness [%]	77.0	22.3
Redundancy	3.5	1.9
CC(1/2)	0.998	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Enzyme mixed 50/50 with reservoir solution containing Morpheus screen solution C12: 0.09 M NPS (0.3M Sodium nitrate, 0.3 Sodium phosphate dibasic, 0.3M Ammonium sulfate), 0.1 M Buffer System 3 pH 8.5 (Tris; BICINE), 50 % v/v Precipitant Mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350)