9O2F

Heparanase P6 in complex with fragment J85

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	2021-03-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	59.203, 74.730, 124.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.410 - 2.500
R-factor	0.2115
Rwork	0.209
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.572
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]	46.410	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.292	2.113
Rmeas	0.321	2.325
Rpim	0.132	0.959
Total number of observations	116090	12675
Number of reflections	19841	2184
<I/σ(I)>	5.4	0.9
Completeness [%]	100.0
Redundancy	5.9	5.8
CC(1/2)	0.986	0.417

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