8V2Y

Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-10-18
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	P 1 21 1
Unit cell lengths	46.692, 58.878, 60.898
Unit cell angles	90.00, 105.47, 90.00

Refinement procedure

Resolution	28.270 - 2.860
R-factor	0.2249
Rwork	0.219
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.785
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.270	3.080
High resolution limit [Å]	2.860	2.860
Rmerge	0.129
Rmeas	0.153
Number of reflections	7368	1366
<I/σ(I)>	9.11
Completeness [%]	97.8
Redundancy	3.6
CC(1/2)	0.922	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	0.3-0.6M magnesium formate, 15-20% polyethylene glycol (PEG) 3350