9O22

Heparanase P6 in complex with fragment J36

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	59.357, 76.147, 125.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.850 - 2.100
R-factor	0.1791
Rwork	0.177
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.245
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]	46.810	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.582
Rmeas	0.605	11.154
Rpim	0.163	3.068
Total number of observations	460339
Number of reflections	33911	2707
<I/σ(I)>	9.9
Completeness [%]	100.0
Redundancy	13.6	13
CC(1/2)	0.992	0.610

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