6OHL

Crystal structure of Fusobacterium nucleatum flavodoxin bound to flavin mononucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	118.872, 118.872, 103.375
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.066 - 1.850
R-factor	0.1695
Rwork	0.168
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.024
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.092	0.037	0.492
Rmeas	0.097	0.038	0.556
Rpim	0.030	0.012	0.251
Total number of observations	235021
Number of reflections	23672	1267	912
<I/σ(I)>	6.3
Completeness [%]	98.3	99.1	76.6
Redundancy	9.9	10.6	3.8
CC(1/2)		0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	42-46% PEG 600, 0.16-0.18 M calcium acetate, 0.1 M sodium cacodylate