9TB6

Crystal structure of the MpPYL1-HAB1 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	2022-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	69.124, 71.515, 103.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.850 - 2.390
R-factor	0.2004
Rwork	0.197
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
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]	58.850	2.580
High resolution limit [Å]	2.390	2.390
Rpim	0.128	0.901
Number of reflections	13352	569
<I/σ(I)>	0.692
Completeness [%]	99.9
Redundancy	12.6
CC(1/2)	0.979	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium/potassium phosphate, pH 6.5, 20% (w/v) PEG 3350