6HSW

A CE15 glucuronoyl esterase from Teredinibacter turnerae T7901

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	300
Detector technology	PIXEL
Collection date	2017-08-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979500
Spacegroup name	P 31 2 1
Unit cell lengths	121.173, 121.173, 198.203
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.810 - 2.147
R-factor	0.164076629898
Rwork	0.164
R-free	0.21208
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.055
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.810	2.224
High resolution limit [Å]	2.147	2.147
Rmerge	0.198
Rmeas	0.203
Rpim	0.045	0.409
Number of reflections	92246	9051
<I/σ(I)>	13.86	1.37
Completeness [%]	99.8	98.96
Redundancy	20.3	19.6
CC(1/2)	0.995	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Enzyme mixed 50/50 with reservoir solution containing Morpheus screen solution with 0.09 M halogens (0.3M Sodium fluoride; 0.3M Sodium bromide; 0.3M Sodium iodide), 0.1 M Buffer system 1 (Imidazole; MES) , and 50% v/v Precipitant mix 2 (40% v/v Ethylene glycol; 20 % w/v PEG8000)