9O28

Heparanase P6 in complex with fragment J59

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	58.874, 74.966, 124.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.300 - 1.810
R-factor	0.1794
Rwork	0.178
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.844
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]	46.300	1.850
High resolution limit [Å]	1.810	1.810
Rmerge	0.370	9.673
Rmeas	0.385	10.034
Rpim	0.103	2.651
Total number of observations	694383	41342
Number of reflections	50712	2918
<I/σ(I)>	7.8	1.1
Completeness [%]	99.2
Redundancy	13.7	14.2
CC(1/2)	0.996	0.545

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