9O26

Heparanase P6 in complex with fragment J51

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	57.990, 73.810, 124.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.600 - 2.350
R-factor	0.2
Rwork	0.198
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.511
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]	45.600	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	1.527
Rmeas	1.589	31.352
Rpim	0.436	8.797
Total number of observations	300926
Number of reflections	22920	2216
<I/σ(I)>	5.4
Completeness [%]	100.0
Redundancy	13.1	12.6
CC(1/2)	0.944	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M ammonium sulfate, 0.1 M ammonium acetate, 25% PEG4000