9QLX

Crystal structure of D4A-FNR of A. fischeri with a [4Fe-4S]/[2Fe-2S] mixture

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	2021-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	I 4 2 2
Unit cell lengths	75.844, 75.844, 215.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.030 - 2.310
R-factor	0.1947
Rwork	0.194
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.030	2.390
High resolution limit [Å]	2.310	2.310
Rmerge	0.090	3.396
Number of reflections	14329	1365
<I/σ(I)>	24.6
Completeness [%]	100.0
Redundancy	28.8
CC(1/2)	0.998	0.827

Crystallization Conditions

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