9GNL

X-ray crystal structure of VvPYL1 with ABA

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	2023-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972422
Spacegroup name	P 1 21 1
Unit cell lengths	57.535, 49.621, 65.950
Unit cell angles	90.00, 99.72, 90.00

Refinement procedure

Resolution	46.830 - 2.400
Rwork	0.233
R-free	0.30580
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.830	2.489
High resolution limit [Å]	2.400	2.400
Rpim	0.102	0.922
Number of reflections	47169	14366
<I/σ(I)>	8.7	0.8
Completeness [%]	98.3	96.83
Redundancy	3.3
CC(1/2)	0.990	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.1 M sodium acetate, pH 5.0, 0.2 M magnesium chloride, 20% PEG 6000