9O21

Heparanase P6 in complex with fragment J34

This is a non-PDB format compatible entry.

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	2021-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.832, 74.953, 124.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.280 - 1.820
R-factor	0.1911
Rwork	0.189
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.855
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]	47.810	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.319	6.041
Rmeas	0.332	6.271
Rpim	0.090	1.670
Total number of observations	677628	40545
Number of reflections	50083	2930
<I/σ(I)>	6.8	0.7
Completeness [%]	100.0
Redundancy	13.5	13.8
CC(1/2)	0.995	0.302

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