6RHG

Structure of Chloroflexus aggregans Cagg_3753 LOV domain

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	2018-06-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	53.790, 110.226, 39.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 1.220
R-factor	0.1414
Rwork	0.140
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rhf
RMSD bond length	0.021
RMSD bond angle	2.089
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]	48.340	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.093	1.419
Rmeas	0.102	1.539
Rpim	0.040	0.590
Total number of observations	437195
Number of reflections	68182	3250
<I/σ(I)>	9.4
Completeness [%]	97.4	95.6
Redundancy	6.4	6.6
CC(1/2)	0.997	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.09 M sodium nitrate, 0.09 M sodium phosphate dibasic, 0.09 M ammonium sulfate, 0.1 M imidazole and MES monohydrate (acid) buffer with pH 6.5, 20% PEG 500 MME and 10% PEG 20000