9EUZ

Glycoside hydrolase family 191 enzyme from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	196.055, 84.499, 196.634
Unit cell angles	90.00, 119.83, 90.00

Refinement procedure

Resolution	49.262 - 2.600
Rwork	0.216
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.358
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]	49.262	49.210	2.640
High resolution limit [Å]	2.600	14.240	2.600
Rmerge	0.194	0.076	1.089
Rmeas	0.255	0.099	1.433
Rpim	0.164	0.063	0.922
Number of reflections	171234	1108	8538
<I/σ(I)>	5.4
Completeness [%]	99.5
Redundancy	4.3	4.2	4.4
CC(1/2)	0.978	0.993	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		282	PEG MME 2000, Tris