9S74

Extracellular serine protease Jep from mouse-adapted S. aureus strain JSNZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.72932
Spacegroup name	C 1 2 1
Unit cell lengths	59.261, 49.488, 68.383
Unit cell angles	90.00, 113.32, 90.00

Refinement procedure

Resolution	29.620 - 0.980
Rwork	0.148
R-free	0.16250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.781
Data reduction software	XDS (BUILT 20230630)
Data scaling software	XDS (BUILT 20230630)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.620	36.610	1.000
High resolution limit [Å]	0.980	5.370	0.980
Rmeas	0.106	0.094	1.166
Rpim	0.055	0.050	0.615
Number of reflections	101075	656	4864
<I/σ(I)>	9.3
Completeness [%]	97.4	98.6	95.5
Redundancy	7	6.6	6.9
CC(1/2)	0.994	0.985	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	0.2M potassium sulfate, 20% PEG 3350