6RHF

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

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	2017-10-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	P 21 21 2
Unit cell lengths	53.934, 110.044, 38.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 1.070
R-factor	0.1259
Rwork	0.125
R-free	0.14840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.044
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	1.090
High resolution limit [Å]	1.070	1.070
Rmerge	0.066	2.060
Rmeas	0.074	2.302
Rpim	0.031	1.002
Total number of observations	539872
Number of reflections	102522	4922
<I/σ(I)>	9.6
Completeness [%]	99.6	97.8
Redundancy	5.3	5
CC(1/2)	0.998	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	200 mM Ammonium citrate dibasic, 20% (w/v) PEG 3350