6YXC

Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148R variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	57.419, 110.169, 38.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.780 - 1.650
R-factor	0.1838
Rwork	0.182
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rhf
RMSD bond length	0.003
RMSD bond angle	1.218
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.780	1.760
High resolution limit [Å]	1.632	1.632
Number of reflections	22625	1131
<I/σ(I)>	16.7	2.4
Completeness [%]	71.7	18
Redundancy	6.4	6.5
CC(1/2)	1.000	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.12M hexanediol, 0.12M butanol, 0.12M 1,2-propanediol, 0.12M propanol, 0.12M butanediol, 0.12M 1,3-propanediol, 0.1M MES, 0.1M Imid, pH 6.5, 20%PEG500, 10% PEG20000