9O2A

Heparanase P6 in complex with fragment J69

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	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.348, 74.832, 124.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.540 - 2.100
R-factor	0.2156
Rwork	0.213
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.551
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]	42.540	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.147	1.136
Rmeas	0.164	1.270
Rpim	0.071	0.551
Total number of observations	140773	11203
Number of reflections	26851	2219
<I/σ(I)>	8.2	1.5
Completeness [%]	83.4
Redundancy	5.2	5
CC(1/2)	0.987	0.596

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