9O2G

Heparanase P6 in complex with fragment J91

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	58.162, 73.994, 123.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.730 - 2.280
R-factor	0.1978
Rwork	0.194
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.932
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]	45.730	2.360
High resolution limit [Å]	2.280	2.280
Rmerge	0.568	9.419
Rmeas	0.590	9.766
Rpim	0.158	2.559
Total number of observations	338124	34095
Number of reflections	24692	2369
<I/σ(I)>	6.6	0.9
Completeness [%]	98.7
Redundancy	13.7	14.4
CC(1/2)	0.983	0.379

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