9O2I

Heparanase P6 in complex with fragment C2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-29
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.962, 74.668, 124.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.830 - 2.500
R-factor	0.2205
Rwork	0.218
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.507
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]	47.830	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.603	1.856
Rmeas	0.628	1.932
Rpim	0.174	0.531
Total number of observations	251445	27927
Number of reflections	19657	2156
<I/σ(I)>	5.2	1.6
Completeness [%]	99.8
Redundancy	12.8	13
CC(1/2)	0.948	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M ammonium sulfate, 0.1 M ammonium acetate, 25% PEG4000