9Q9U

X ray Structure of the Superantigen Staphylococcal Enterotoxin L (SEL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	77
Detector technology	PIXEL
Collection date	2024-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.895
Spacegroup name	P 1 21 1
Unit cell lengths	32.300, 63.860, 48.620
Unit cell angles	90.00, 92.33, 90.00

Refinement procedure

Resolution	28.800 - 1.310
R-factor	0.1243
Rwork	0.123
R-free	0.15960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.073
Data reduction software	XDS (Jun 30, 2024)
Data scaling software	XDS (Jun 30, 2024)
Phasing software	PHASER (1.21.2_5419)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.270	1.390
High resolution limit [Å]	1.310	1.310
Rmeas		1.000
Number of reflections	80982	7260
<I/σ(I)>	6.61
Completeness [%]	86.7	48
Redundancy	3.23	2.68
CC(1/2)	0.993	0.228

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	12% PEG 8000 100 mM imidazole 2:1 drops, protein solution:condition