6GS0

Native Glucuronoyl Esterase from Opitutus terrae

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	2017-04-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	43.361, 44.263, 50.027
Unit cell angles	75.86, 66.33, 70.88

Refinement procedure

Resolution	45.430 - 1.340
R-factor	0.1745
Rwork	0.173
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6grw
RMSD bond length	0.008
RMSD bond angle	1.074
Data reduction software	XDS (BUILD = 20180126)
Data scaling software	XDS (BUILD = 20180126)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.430	1.370
High resolution limit [Å]	1.340	1.340
Rmerge	0.092	1.073
Rmeas	0.101	1.159
Number of reflections	63925	13846
<I/σ(I)>	6.35	0.97
Completeness [%]	88.9	88.6
Redundancy	2.95	2.93
CC(1/2)	0.995	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	Reservoir composition: 0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulfate and 0.3 M Sodium nitrate, 0.05 M Tris and 0,05 M BICINE, 12.5 % v/v MPD, 12.5 % w/v PEG1000 and 12.5 % w/v PEG3350 Drop size and composition: sitting drops of 0.3 ul were mixed in a protein:reservoir volume ratio of 3:1 using 45 mg/ml of OtCE15A in 20 mM TRIS pH 8.0