9EP5

GH191 family Alpha-Galactosaminidase from Environmental sample (99.2% identity to Myxococcus fulvus enzyme)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9119
Spacegroup name	C 2 2 21
Unit cell lengths	41.840, 185.324, 128.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.330 - 1.640
Rwork	0.197
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.450
Data reduction software	xia2
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]	46.330	46.330	1.670
High resolution limit [Å]	1.640	8.980	1.640
Rmerge	0.162	0.050	3.203
Rmeas	0.175	0.053	3.466
Rpim	0.067	0.020	1.313
Number of reflections	61821	453	3055
<I/σ(I)>	11.5	40	0.8
Completeness [%]	100.0	99.5	100
Redundancy	13.1	11.7	13.3
CC(1/2)	0.998	0.999	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6% Ammonium Sulphate, 3% PEG 1K,10% glycerol, 24 well format Linbro plate