3U7R

FerB - flavoenzyme NAD(P)H:(acceptor) oxidoreductase (FerB) from Paracoccus denitrificans

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97522, 0.97714, 0.97753
Spacegroup name	P 21 21 2
Unit cell lengths	61.030, 89.140, 71.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.110 - 1.400
R-factor	0.16065
Rwork	0.160
R-free	0.17386
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.765
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.560	1.436
High resolution limit [Å]	1.400	1.400
Number of reflections	75170
Completeness [%]	76.9	86.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	15% PEG 4000, 0.2M Ammonium sulphate, 0.1M Sodium acetate, 0.1M MES buffer pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K