6OHK

Crystal structure of Fusobacterium nucleatum flavodoxin mutant K13G bound to flavin mononucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97965
Spacegroup name	P 21 21 21
Unit cell lengths	36.090, 67.250, 72.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.440 - 1.200
R-factor	0.1521
Rwork	0.151
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.203
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.440	36.440	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.056	0.037	0.532
Rmeas	0.061	0.041	0.616
Number of reflections	55823	726	3755
<I/σ(I)>	17.07	38.39	2.53
Completeness [%]	99.2	99.7	92
Redundancy	6.594	6.172	3.831
CC(1/2)	0.999	0.997	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	21% PEG 3350, 0.23M magnesium chloride, 0.1M HEPES pH 7.5