9O20

Heparanase P6 in complex with fragment J32

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	2021-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.895, 74.545, 124.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.700 - 1.830
R-factor	0.1988
Rwork	0.197
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.851
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]	47.700	1.870
High resolution limit [Å]	1.830	1.830
Rmerge	0.607
Rmeas	0.631	16.317
Rpim	0.170	4.336
Total number of observations	664060
Number of reflections	49042	2949
<I/σ(I)>	5.9
Completeness [%]	100.0
Redundancy	13.5	13.8
CC(1/2)	0.994	0.303

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