9U5N

Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q89E variant (complex with FMN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 21 21 2
Unit cell lengths	53.722, 109.602, 39.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.239 - 1.270
Rwork	0.160
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rhf
RMSD bond length	0.004
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.800	1.290
High resolution limit [Å]	1.270	1.270
Number of reflections	61767	2990
<I/σ(I)>	14.1
Completeness [%]	100.0
Redundancy	26
CC(1/2)	1.000	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	pH 6.5, 0.02M Sodium formate; 0.02M Ammonium acetate; 0.02M Sodium citrate tribasic dihydrate; 0.02M Potassium sodium tartrate tetrahydrate; 0.02M Sodium oxamate; 0.1M Imidazole; 0.1M MES monohydrate (acid); 20% v/v Ethylene glycol; 10% w/v PEG 8000