9IAU

Non-immunogenic staphylokinase variant SY155

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 1 21 1
Unit cell lengths	46.007, 79.477, 79.876
Unit cell angles	90.00, 105.62, 90.00

Refinement procedure

Resolution	44.309 - 2.090
R-factor	0.2352
Rwork	0.233
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.623
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]	44.310	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.142	1.063
Rmeas	0.153	1.000
Rpim	0.056	0.420
Total number of observations	229897
Number of reflections	30888	1779
<I/σ(I)>	10.3
Completeness [%]	94.1
Redundancy	7.4	7.2
CC(1/2)	0.996	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	sodium citrate, PEG 3350