6I24

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 64 2 2
Unit cell lengths	106.314, 106.314, 67.541
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.490 - 1.430
R-factor	0.18675
Rwork	0.186
R-free	0.20326
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a8b
RMSD bond length	0.015
RMSD bond angle	1.930
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.490	1.470
High resolution limit [Å]	1.430	1.430
Rmerge	0.086	2.114
Rmeas	0.089	2.229
Number of reflections	41996	3051
<I/σ(I)>	16.1
Completeness [%]	100.0	100
Redundancy	20.6	19.7
CC(1/2)	0.999	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	10 - 25 % PEG 2K or 3K 0.1 M Na Acetate or Citrate 0.1 M NH4Cl