3FNI

Crystal structure of a diflavin flavoprotein A3 (all3895) from Nostoc sp., Northeast Structural Genomics Consortium Target NsR431A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	28.096, 66.301, 75.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.21
Rwork	0.210
R-free	0.25200
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.169
Number of reflections	12184
<I/σ(I)>	25.44	12.4
Completeness [%]	98.7	100
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch under oil	7.5	277	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution:100 mM HEPES (pH 7.5), 40% PEG 4k, and 100 mM Magnesium Acetate. , Microbatch under oil, temperature 277K