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1C75

0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII

Replaces:  1B7C
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineBW7B
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1996-05-23
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths37.144, 39.422, 44.021
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 0.970
R-factor0.1162
Structure solution methodOTHER
RMSD bond length0.016
RMSD bond angle0.034
Data scaling softwareSCALEPACK
Phasing softwareCCP4
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0000.990
High resolution limit [Å]0.9700.970
Rmerge0.0740.242
Total number of observations212694

*

Number of reflections38959
<I/σ(I)>17.164.18
Completeness [%]99.999.6
Redundancy5.47

*

2.72
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

8

*

20

*

3.2 M AMMONIUM SULPHATE IN 100 MM SODIUM CITRATE BUFFER PH 5.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein16 (mg/ml)
21dropTris-HCl20 (mM)
31reservoirsodium acetate100 (mM)
41reservoirammonium sulfate3.2 (M)

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