9EUX

Glycoside hydrolase familiy 191 enzyme from Thermotoga maritima

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]	100
Detector technology	PIXEL
Collection date	2018-11-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	195.186, 84.497, 195.482
Unit cell angles	90.00, 119.91, 90.00

Refinement procedure

Resolution	48.945 - 2.400
Rwork	0.236
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.118
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.945	48.900	2.440
High resolution limit [Å]	2.400	13.150	2.400
Rmerge	0.183	0.071	1.933
Rmeas	0.217	0.084	2.277
Rpim	0.115	0.045	1.194
Number of reflections	216213	1414	10715
<I/σ(I)>	6.4
Completeness [%]	100.0
Redundancy	6.9	6.7	7
CC(1/2)	0.985	0.968	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	PEG MME 2000, Tris