9EP6

Alpha-Galactosaminidase family GH114 from Fusarium solani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	95.569, 95.569, 231.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.765 - 1.610
Rwork	0.178
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.696
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]	82.770	82.770	1.640
High resolution limit [Å]	1.610	8.820	1.610
Rmerge	0.113	0.034	2.346
Rmeas	0.123	0.037	2.563
Rpim	0.049	0.015	1.027
Number of reflections	158994	1129	7793
<I/σ(I)>	11.2	48.4	1
Completeness [%]	100.0	99.8	100
Redundancy	12.2	10.1	12.1
CC(1/2)	0.999	0.998	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Index A6. 0.1 M Tris 8.5, 2 M ammonium sulphate, with 1 mM TEW, Anderson-Evans polyoxotungstate Jena Bioscience added to the protein prior to crystallisation. Microseed Matrix Seeding