9O23

Heparanase P6 in complex with fragment J37

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	2021-03-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.802, 74.962, 124.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.980 - 2.200
R-factor	0.1893
Rwork	0.187
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.858
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]	47.980	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.245	1.444
Rmeas	0.280	1.653
Rpim	0.133	0.794
Total number of observations	121444	10402
Number of reflections	28726	2455
<I/σ(I)>	3.4	0.9
Completeness [%]	99.8
Redundancy	4.2	4.2
CC(1/2)	0.980	0.344

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