2VKR

3Fe-4S, 4Fe-4S plus Zn Acidianus ambivalens ferredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-23
Detector	ADSC CCD
Spacegroup name	P 31
Unit cell lengths	117.500, 117.500, 50.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.480 - 2.010
R-factor	0.2196
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xer
RMSD bond length	0.006
RMSD bond angle	0.018
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.480	2.070
High resolution limit [Å]	2.010	2.010
Rmerge	0.080	0.400
Number of reflections	52106
<I/σ(I)>	9.9	2.5
Completeness [%]	99.2	99.6
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			VAPOR DIFFUSION METHOD USING 2 MICROL DROPS OF FRESHLY PURIFIED PROTEIN AT 4.7 MG/ML IN 40 MM POTASSIUM PHOSPHATE PH 6.5 AND 150 NACL, PLUS 2 MICROL OF WELL SOLUTION, 2.4-3.0 M AMMONIUM SULPHATE BUFFERED WITH TRIS-HCL 0.1 M PH 8 AND 0.5 MICROL LAURYLDIMETHYLAMINE-OXIDE (LDAO) 7% (W/V).