9O2C

Heparanase P6 in complex with fragment J72

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	59.311, 75.566, 125.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.660 - 1.700
R-factor	0.1948
Rwork	0.194
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.825
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]	46.660	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.174	8.546
Rmeas	0.181	8.872
Rpim	0.049	2.367
Total number of observations	852231	45266
Number of reflections	62808	3270
<I/σ(I)>	8.4	0.5
Completeness [%]	100.0
Redundancy	13.6	13.8
CC(1/2)	0.999	0.373

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