29LW

Crystal structure of PpSB1-LOV protein from Pseudomonas putida in complex with 5-deazaflavin mononucleotide (5dFMN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-18
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	51.239, 61.875, 107.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.580 - 1.540
R-factor	0.16858
Rwork	0.167
R-free	0.19023
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.769
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.700	1.570
High resolution limit [Å]	1.540	1.540
Number of reflections	50710	19681
<I/σ(I)>	19.2
Completeness [%]	98.8	78.9
Redundancy	11.7	10
CC(1/2)	1.000	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20% PEG3350, 0.2 M Ammonium formate, 0.1 M bistris propane pH 8.5