9O29

Heparanase P6 in complex with fragment J61

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	2021-02-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	59.540, 74.038, 124.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.250 - 2.200
R-factor	0.2045
Rwork	0.203
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.874
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]	46.400	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.432	4.927
Rmeas	0.449	5.109
Rpim	0.120	1.342
Total number of observations	392407	34746
Number of reflections	28829	2450
<I/σ(I)>	6	0.9
Completeness [%]	100.0
Redundancy	13.6	14.2
CC(1/2)	0.991	0.312

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