9TBB

Crystal structure of the CsPYL1(I91L-V112L-V192L-L195C-K199S)-ABA-HAB1 ternary complex

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	2025-09-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	43.708, 64.771, 186.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.720 - 1.910
R-factor	0.2098
Rwork	0.206
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	autoPROC
Data scaling software	autoPROC
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.720	1.990
High resolution limit [Å]	1.900	1.900
Number of reflections	22383	1119
<I/σ(I)>	7.1
Completeness [%]	99.8
Redundancy	90.9
CC(1/2)	0.991	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	291	0.1 M Bis-Tris propane, pH 7.0, 0.5 M CaCl2, 25% (w/v) PEG 3350