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1NFV

X-ray structure of Desulfovibrio desulfuricans bacterioferritin: the diiron centre in different catalytic states (as-isolated structure)

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date1999-09-15
DetectorMARRESEARCH
Wavelength(s)0.992, 1.7387, 1.74
Spacegroup nameP 21 3
Unit cell lengths225.300, 225.300, 225.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.950
R-factor0.214
Rwork0.214
R-free0.25400
Structure solution methodMAD
Starting model (for MR)polyalanine model built from scratch
RMSD bond length0.011
RMSD bond angle0.025
Data reduction softwareDENZO
Data scaling softwareSCALA
Phasing softwareSnB
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.020
High resolution limit [Å]1.9501.950
Rmerge0.0660.343
Total number of observations905598

*

Number of reflections271259
<I/σ(I)>6.42.1
Completeness [%]98.997.6
Redundancy3.33.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP3.6

*

293Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326.

*

1VAPOR DIFFUSION, SITTING DROP3.6

*

293Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326.

*

1VAPOR DIFFUSION, SITTING DROP3.6

*

293Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirammonium sulfate2.0 (M)
21reservoiracetate0.1 (M)pH3.6
31dropprotein13 (mg/ml)

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