6Y7U

Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	54.256, 111.360, 38.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 1.600
R-factor	0.1806
Rwork	0.178
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rhf
RMSD bond length	0.005
RMSD bond angle	1.314
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]	111.360	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.101	0.685
Rmeas	0.106	0.719
Rpim	0.032	0.215
Total number of observations	336840
Number of reflections	31994	1582
<I/σ(I)>	14
Completeness [%]	99.9	100
Redundancy	10.5	11.1
CC(1/2)	0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Ammonium sulfate, 0.1 M BIS-Tris pH 5.5, 25 % w/v PEG 3350