9O25

Heparanase P6 in complex with fragment J41

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	58.750, 74.694, 124.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 1.650
R-factor	0.1846
Rwork	0.183
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.852
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]	47.800	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.333
Rmeas	0.346	16.737
Rpim	0.094	4.499
Total number of observations	903162
Number of reflections	66701	3283
<I/σ(I)>	7.6
Completeness [%]	100.0
Redundancy	13.5	13.7
CC(1/2)	0.997	0.383

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