29LX

Crystal structure of PpSB1-LOV protein from Pseudomonas putida in covalent 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	51.245, 61.852, 107.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.560 - 1.570
R-factor	0.18707
Rwork	0.186
R-free	0.21362
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.603
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.600	1.590
High resolution limit [Å]	1.570	1.570
Number of reflections	46117	2287
<I/σ(I)>	6.5	0.9
Completeness [%]	94.9
Redundancy	2.4
CC(1/2)	0.994	0.399

Crystallization Conditions

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