9TBC

Crystal structure of the MpPYL1(L91I-L111V-L191V-C194L-S198K)-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	2025-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	70.060, 71.580, 103.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.790 - 2.300
R-factor	0.265
Rwork	0.261
R-free	0.32950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.790	2.390
High resolution limit [Å]	2.300	2.300
Number of reflections	23698	2565
<I/σ(I)>	11.2
Completeness [%]	99.6
Redundancy	7.9
CC(1/2)	0.850	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Hepes, pH 7.5, 30% (v/v) 2-Methyl-2,4-pentanediol, 200 mM tri-Sodium citrate