9IAV

Non-immunogenic staphylokinase variant THR174

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	P 61 2 2
Unit cell lengths	51.283, 51.283, 322.902
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.055 - 2.498
R-factor	0.2404
Rwork	0.238
R-free	0.28590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.635
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	2.600
High resolution limit [Å]	2.498	2.500
Rmerge	0.262	3.366
Rmeas	0.270	3.457
Rpim	0.062	0.773
Total number of observations		20419
Number of reflections	9777	1062
<I/σ(I)>	9.2	0.7
Completeness [%]	100.0
Redundancy	18.5	19.2
CC(1/2)	0.996	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.18M sodium citrate, 40% PEG3350