9QOV

Crystal structure of [2Fe-2S]b D4A-FNR of A. fischeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7749
Spacegroup name	I 4 2 2
Unit cell lengths	75.661, 75.661, 213.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.750 - 2.240
R-factor	0.1959
Rwork	0.195
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.098	7.835
Number of reflections	15433	1486
<I/σ(I)>	18.4	0.6
Completeness [%]	100.0
Redundancy	29
CC(1/2)	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	MPD, HEPES, ANAEROBIC, PH 7.1