9O2E

Heparanase P6 in complex with fragment J82

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	58.928, 75.108, 124.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.360 - 2.100
R-factor	0.2374
Rwork	0.235
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.856
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]	48.020	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.347	3.147
Rmeas	0.362	3.289
Rpim	0.101	0.945
Total number of observations	415634	27634
Number of reflections	32436	2378
<I/σ(I)>	8.6	1.9
Completeness [%]	98.0
Redundancy	12.8	11.6
CC(1/2)	0.992	0.684

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