9TB8

Crystal structure of the CsPYL1 L195C-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	2023-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	43.899, 64.526, 188.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.040 - 1.550
R-factor	0.1906
Rwork	0.189
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.068
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]	61.040	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.157	1.725
Rmeas	0.164
Rpim	0.046	0.551
Number of reflections	54388	2720
<I/σ(I)>	0.768	0.727
Completeness [%]	93.5
Redundancy	12.8
CC(1/2)	0.999	0.536

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% PEG 3350