5VJ7

Ferredoxin NADP Oxidoreductase (Xfn)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95
Spacegroup name	P 1 21 1
Unit cell lengths	55.743, 73.140, 99.963
Unit cell angles	90.00, 96.73, 90.00

Refinement procedure

Resolution	39.000 - 2.550
R-factor	0.186
Rwork	0.183
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jfc
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	HKL-2000
Data scaling software	Aimless (0.5.28)
Phasing software	PHENIX
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	2.660
High resolution limit [Å]	2.550	2.550
Rmerge	0.100	0.362
Rpim		0.306
Number of reflections	25850	3147
<I/σ(I)>	7.7	2.6
Completeness [%]	98.8	99.1
Redundancy	4.2	4.2
CC(1/2)		0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.22 Magnesium Sulfate, 27% w/v Polyethylene glycol 3,350, 0.4% v/v Ethyl acetate 1 mM Sodium dithionite