9SNT

Apo-form of Schistosoma mansoni Cathepsin D1 at 2.2A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-04-29
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92819
Spacegroup name	P 62
Unit cell lengths	136.617, 136.617, 51.803
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.450 - 2.200
R-factor	0.176
Rwork	0.174
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.941
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.310	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	28328	1405
<I/σ(I)>	0.832
Completeness [%]	100.0
Redundancy	7.4
CC(1/2)	0.990	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris propane, pH 8.5, 0.02 M sodium/potassium phosphate, 20 % (v/v) PEG 3350