44OO

Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A variant (CagFbFP) with 6,7-Dimethyl-8-ribityllumazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97919
Spacegroup name	P 21 21 2
Unit cell lengths	54.146, 110.352, 38.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.176 - 1.274
Rwork	0.174
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.372
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.176	55.176	1.413
High resolution limit [Å]	1.274	4.046	1.274
Rmerge	0.131	0.035	1.033
Rmeas	0.139	0.037	1.147
Rpim	0.046	0.013	0.486
Number of reflections	42328	2116	2116
<I/σ(I)>	10.4	37.1	1.7
Completeness [%]	91.9	99.2	54.8
Redundancy	8.4	8.1	4.9
CC(1/2)	0.999	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0 M Ammonium sulfate