6GRY

Glucuronoyl Esterase from Solibacter usitatus.

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)	0.899
Spacegroup name	P 43 21 2
Unit cell lengths	54.579, 54.579, 284.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.288 - 2.000
R-factor	0.18926421186
Rwork	0.188
R-free	0.23919
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Undeposited model
RMSD bond length	0.013
RMSD bond angle	1.206
Data reduction software	XDS (BUILT=20180126)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.116	0.909
Number of reflections	29889	22245
<I/σ(I)>	11.58	2.02
Completeness [%]	98.4	85.34
Redundancy	8.1	7.6
CC(1/2)	0.998	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	Reservoir composition: 0.3 M diethylene glycol, 0.3 M triethylene glycol, 0.3 M tetraethylene glycol, and 0.3 M pentaethylene glycol, 0.05 M Tris, 0.05 M BICINE, 20% v/v PEG500MME, 10% w/v PEG20000