9O1V

Heparanase P6 in complex with fragment J21

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	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.682, 74.707, 124.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.150 - 2.050
R-factor	0.2228
Rwork	0.220
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.588
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]	46.150	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.538
Rmeas	0.561	17.862
Rpim	0.154	4.876
Total number of observations	471635
Number of reflections	35051	2705
<I/σ(I)>	6.5
Completeness [%]	100.0
Redundancy	13.5	13.3
CC(1/2)	0.984	0.363

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