9QLL

Crystal structure of holo-D4A-FNR of A. fischeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	I 4 2 2
Unit cell lengths	76.210, 76.210, 218.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.900 - 2.210
R-factor	0.1755
Rwork	0.174
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.932
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]	48.330	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.054	2.039
Number of reflections	16661	1598
<I/σ(I)>	27.4
Completeness [%]	100.0
Redundancy	21.4
CC(1/2)	1.000	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	MPD, MES, dithionite, anaerobic