3FVB

Crystal structure of ferritin (bacterioferritin) from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03322
Spacegroup name	F 2 3
Unit cell lengths	174.810, 174.810, 174.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.806
R-factor	0.183
Rwork	0.181
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jgc molecule A
RMSD bond length	0.013
RMSD bond angle	1.219
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.081	0.039	0.843
Number of reflections	40564
<I/σ(I)>	26.769
Completeness [%]	100.0	99.9	99.8
Redundancy	9.2	11.1	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	12.4 mg/mL protein, 30% PEG 400, 0.2 M MGCl2, 0.1 M HEPES pH 7.5, 0.1 M imidazole; Crystal ID 200992h8. Original crystal hit was in JCSG+ D2, which was optimized using the Emerald Biosystems ADDit Additive Screen. , VAPOR DIFFUSION, SITTING DROP, temperature 289K