6I20

Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96858
Spacegroup name	P 21 21 21
Unit cell lengths	65.680, 104.040, 105.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.540 - 1.370
R-factor	0.15198
Rwork	0.151
R-free	0.17532
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.659
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.540	1.410
High resolution limit [Å]	1.370	1.370
Rmerge	0.109	1.278
Rmeas	0.112	1.377
Number of reflections	152478	10991
<I/σ(I)>	15.2	1.3
Completeness [%]	99.9	98.7
Redundancy	18.7	6.8
CC(1/2)	0.997	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Na Acetate, 0.1 NH4Cl, 15-20 % PEG 2000 pH 4.5-4.9