1SIZ

Crystal structure of the [Fe3S4]-ferredoxin from the hyperthermophilic archaeon Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	47.447, 51.637, 54.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.250
R-factor	0.2413
Rwork	0.239
R-free	0.28880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vjw
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.100	0.220
Number of reflections	6508
<I/σ(I)>	4.8
Completeness [%]	94.8	81.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG 400, hexammine cobalt(III)-ions, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K