1JGC

The 2.6 A Structure Resolution of Rhodobacter capsulatus Bacterioferritin with Metal-free Dinuclear Site and Heme Iron in a Crystallographic Special Position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-17
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	I 4 2 2
Unit cell lengths	142.370, 142.370, 140.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.500 * - 2.600
R-factor	0.225 *
Rwork	0.225
R-free	0.24200
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	17.990 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.500 *	2.640
High resolution limit [Å]	2.600 *	2.590
Rmerge	0.077 *	0.331 *
Total number of observations	260696 *
Number of reflections	22679
<I/σ(I)>	12.6
Completeness [%]	99.4	94
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293	octyl glucoside, NaOAc, PEK 4K, pH 4.6, VAPOR DIFFUSION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	octyl glucoside	20 (mg/ml)
2	1	reservoir		0.1 (M)	pH4.6
3	1	reservoir	PEG4000	4 (%)