9GXB

Room temperature structure of FAD-containing ferrodoxin-NADP reductase from Brucella ovis at EuXFEL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-05-03
Detector	AGIPD
Wavelength(s)	1.319
Spacegroup name	P 41
Unit cell lengths	39.900, 39.900, 168.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.970 - 1.900
R-factor	0.2243
Rwork	0.217
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.704
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000	2.000
High resolution limit [Å]	1.900	1.900
Number of reflections	20670	2013
<I/σ(I)>	2.9
Completeness [%]	100.0
Redundancy	48
CC(1/2)	0.816	0.246

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291.15	25% PEG 4.000 0.1M MES pH 6.5 0.2M MgCl2