9QLY

Crystal structure of holo-D130A-FNR of A. fischeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-25
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	I 4 2 2
Unit cell lengths	75.130, 75.130, 216.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.060 - 2.500
R-factor	0.1923
Rwork	0.190
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.877
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]	47.690	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.062	2.683
Number of reflections	11187	1074
<I/σ(I)>	20.6
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	0.999	0.385

Crystallization Conditions

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