6I21

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 64 2 2
Unit cell lengths	106.389, 106.389, 67.486
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.480 - 1.500
R-factor	0.17476
Rwork	0.173
R-free	0.20501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a8b
RMSD bond length	0.016
RMSD bond angle	2.006
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.480	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.071	2.595
Rmeas	0.074	2.725
Number of reflections	36515	2637
<I/σ(I)>	18.2	1.3
Completeness [%]	100.0	100
Redundancy	20.7	21.3
CC(1/2)	1.000	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10-25% PEG 2K or 3K, 100 mM Na Acetate or Na Citrate, pH 4.5 - 4.9 Protein conc 10 mg/ml