7RG8

Crystal Structure of a Stable Heparanase Mutant

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	2021-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	59.785, 76.094, 124.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.010 - 1.300
R-factor	0.1439
Rwork	0.143
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e8m
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.890	53.890	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.073	0.061	1.317
Rmeas	0.076	0.064	1.385
Rpim	0.021	0.021	0.421
Total number of observations	1829452	11032	72198
Number of reflections	139784	994	6775
<I/σ(I)>	14.9	37.4	1.3
Completeness [%]	99.9	99.4	99.2
Redundancy	13.1	11.1	10.7
CC(1/2)	0.998	0.980	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.2M Ammonium Sulfate, Sodium Acetate pH 5.5, 20% PEG 4000