3PNI

Crystal structure of D14C [3Fe-4S] Pyrococcus furiosus ferredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 21 21 21
Unit cell lengths	47.400, 49.800, 51.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.700 - 2.800
R-factor	0.28053
Rwork	0.279
R-free	0.31849
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z8q
RMSD bond length	0.015
RMSD bond angle	2.511
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.700	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	3087
Completeness [%]	95.0	100
Redundancy		5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	35% PEG1500, 100mM Tris/HCl, 10mM [Co(NH3)6]Cl3, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K