5B48

2-Oxoacid:Ferredoxin Oxidoreductase 1 from Sulfolobus tokodai

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-24
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9780
Spacegroup name	P 21 21 21
Unit cell lengths	75.150, 145.878, 170.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.470 - 2.500
R-factor	0.21466
Rwork	0.211
R-free	0.27799
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b46
RMSD bond length	0.013
RMSD bond angle	1.762
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.058	0.373
Number of reflections	65171
<I/σ(I)>	27	1.72
Completeness [%]	99.2	93.7
Redundancy	4.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	15% PEG3350, 0.1 M Tris-HCl, 0.1 M NaBr