9GXC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-04-08
Detector	SLAC ePix10k 2M
Wavelength(s)	1.107
Spacegroup name	P 41
Unit cell lengths	39.600, 39.600, 167.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.200 - 2.200
R-factor	0.1858
Rwork	0.178
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.498
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.200	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	28492	2878
<I/σ(I)>	5.3	0.2
Completeness [%]	100.0
Redundancy	413
CC(1/2)	0.980	0.204

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