6RRA

X-RAY STRUCTURE OF THE FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS IN COMPLEX WITH NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979260
Spacegroup name	P 21 21 21
Unit cell lengths	58.639, 70.753, 84.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.180 - 1.400
R-factor	0.18096
Rwork	0.180
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qdx
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.240	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.056	0.515
Number of reflections	69102	9824
<I/σ(I)>	12.7	2.1
Completeness [%]	99.3	97.9
Redundancy	4.5	3.6
CC(1/2)	0.997	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Soaking of crystals generated in 2% PEG 400, 0.1 M HEPES pH 7.5 and 2 M ammonium sulphate, with a 10 mM of NADP+ solution for 25 min.