9O27

Heparanase P6 in complex with fragment J56

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	58.411, 73.979, 123.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 2.100
R-factor	0.1852
Rwork	0.183
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.923
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]	47.400	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.433	6.759
Rmeas	0.450	7.031
Rpim	0.122	1.913
Total number of observations	433973	34743
Number of reflections	32012	2576
<I/σ(I)>	7.7	1.3
Completeness [%]	100.0
Redundancy	13.6	13.5
CC(1/2)	0.992	0.302

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