9O2D

Heparanase P6 in complex with fragment J74 (L-norepinephrine)

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	2021-04-08
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.581, 74.204, 123.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.440 - 2.300
R-factor	0.1996
Rwork	0.197
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.633
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]	47.440	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	1.011
Rmeas	1.053	10.805
Rpim	0.289	3.072
Total number of observations	325830
Number of reflections	24648	2380
<I/σ(I)>	4.4
Completeness [%]	100.0
Redundancy	13.2	12.1
CC(1/2)	0.960	0.291

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