9TBA

Crystal structure of the CsPYL1 L195C dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	66.025, 76.281, 81.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.770 - 3.470
R-factor	0.2727
Rwork	0.267
R-free	0.31860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.758
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.770	3.970
High resolution limit [Å]	3.470	3.470
Number of reflections	4758	944
<I/σ(I)>	6.8
Completeness [%]	83.5
Redundancy	2.6
CC(1/2)	0.890	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.2 M (NH4)2SO4, 0.1 M Na cacodylate, pH 6.5, 30% (v/v) PEG 8000