8PM1

Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) variant I52V A85Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	53.817, 110.431, 39.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.215 - 1.500
Rwork	0.197
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.632
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.430	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	37959	1833
<I/σ(I)>	8.5	0.7
Completeness [%]	98.9
Redundancy	14
CC(1/2)	0.998	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Calcium acetate hydrate 0.1 M Sodium cacodylate trihydrate pH 6.5 18% w/v Polyethylene glycol 8,000