9O2K

Heparanase P6 in complex with fragment C12

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	2021-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.989, 75.147, 125.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.910 - 1.730
R-factor	0.2074
Rwork	0.206
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.846
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]	48.070	1.770
High resolution limit [Å]	1.730	1.730
Rmerge	0.627
Rmeas	0.653	40.082
Rpim	0.177	11.867
Total number of observations	784468
Number of reflections	58252	2826
<I/σ(I)>	7.8
Completeness [%]	99.4
Redundancy	13.5	11.4
CC(1/2)	0.964	0.428

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