9GNM

X-ray crystal structure of VvPYL1

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)	0.97912
Spacegroup name	P 21 21 21
Unit cell lengths	54.028, 69.417, 107.698
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.640 - 2.100
R-factor	0.234
Rwork	0.232
R-free	0.26950
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]	42.640	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	24246	2375
<I/σ(I)>	47.34	1.33
Completeness [%]	99.6	98.8
Redundancy	1.34
CC(1/2)	0.946	0.825

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