8Q5E

Crystal structure of PpSB1-LOV protein from Pseudomonas putida with covalent FMN

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	2022-11-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	H 3
Unit cell lengths	153.926, 153.926, 36.039
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.511 - 2.400
Rwork	0.227
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.671
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.430	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.058	0.458
Rmeas	0.078	0.604
Rpim	0.052	0.390
Total number of observations	22897	2476
Number of reflections	11764	1262
<I/σ(I)>	11.8	1.6
Completeness [%]	94.7
Redundancy	1.9	2
CC(1/2)	0.968	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	15% PEG3350, 10 mM MgCl 2 , 5 mM NiCl 2 and 100 mM HEPES buffer pH 7.0.