9TB7

Crystal structure of the CsPYL1(I91L-V112L-V192L)-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	2023-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	43.303, 63.053, 187.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.650 - 1.980
R-factor	0.1927
Rwork	0.190
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.894
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]	93.650	2.070
High resolution limit [Å]	1.980	1.980
Rmerge	0.175	1.232
Rmeas	0.183
Rpim	0.051	0.472
Number of reflections	23693	1186
<I/σ(I)>	0.795	0.784
Completeness [%]	92.2
Redundancy	12.7
CC(1/2)	0.997	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	291	0.1 M Bis-Tris propane, pH 6.5, 0.5 M CaCl2, 25% PEG 3350