9O1S

Heparanase P6 in complex with fragment J11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.633, 75.018, 125.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.200 - 1.800
R-factor	0.1884
Rwork	0.187
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.893
Rmeas	0.928	45.778
Rpim	0.249	12.213
Total number of observations	704354
Number of reflections	51795	3002
<I/σ(I)>	6.6
Completeness [%]	99.7
Redundancy	13.6	13.9
CC(1/2)	0.991	0.423

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium sulfate, 0.1 M ammoniuma acetate, 25% PEG 4000