1NF4

X-Ray Structure of the Desulfovibrio desulfuricans bacterioferritin: the diiron site in different states (reduced structure)

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	2000-11-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 3
Unit cell lengths	225.680, 225.680, 225.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.050
R-factor	0.231
Rwork	0.231
R-free	0.27000
Structure solution method	structure solved using the native as-isolated structure as starting model
Starting model (for MR)	as-isolated native model obtained for the same protein by the MAD method
RMSD bond length	0.006
RMSD bond angle	0.018
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.057	0.299
Total number of observations	871754 *
Number of reflections	234647
<I/σ(I)>	8.1	2.4
Completeness [%]	99.0	99.8
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.6 *	293	Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.0 (M)
2	1	reservoir	acetate	0.1 (M)	pH3.6
3	1	drop	protein	13 (mg/ml)