8QK1

Crystal structure of Trichuris suis beta-N-acetyl-D-hexosaminidase - HEX-2 in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	96.118, 59.044, 105.977
Unit cell angles	90.00, 114.49, 90.00

Refinement procedure

Resolution	43.740 - 2.550
Rwork	0.189
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.996
Data reduction software	XDS
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.740	2.660
High resolution limit [Å]	2.550	2.550
Rmerge	0.067	0.782
Rmeas	0.080	0.931
Rpim	0.043	0.500
Number of reflections	17835	2157
<I/σ(I)>	14.1	2.1
Completeness [%]	99.9	99.9
Redundancy	6.5	6.7
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	20% PEG 1500 0.15M potasium thiocynate 0.1M Tris pH 7.5