9O1W

Heparanase P6 in complex with fragment J25

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	58.371, 75.174, 124.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 1.900
R-factor	0.1724
Rwork	0.171
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.849
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]	46.100	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.818
Rmeas	0.854	16.723
Rpim	0.238	5.030
Total number of observations	590039
Number of reflections	43888	2798
<I/σ(I)>	12.7
Completeness [%]	100.0
Redundancy	13.4	12.6
CC(1/2)	0.829	0.470

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