6RR3

CRYSTAL STRUCTURE OF FAD-CONTAINING FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.968620
Spacegroup name	P 41
Unit cell lengths	39.068, 39.068, 164.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.230 - 1.690
R-factor	0.17
Rwork	0.168
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qdx
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.230	1.780
High resolution limit [Å]	1.690	1.690
Rmerge	0.059	0.347
Number of reflections	26843	3432
<I/σ(I)>	12.2	2
Completeness [%]	97.4	85.1
Redundancy	4.1	2
CC(1/2)	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG 4K, 0.1 M MES pH 6.5 and 0.2 mM MgCl2