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Reduced structure of CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 at pH 7.6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR571
Temperature [K]110
Detector technologyIMAGE PLATE
DetectorMARRESEARCH
Spacegroup nameP 61 2 2
Unit cell lengths61.141, 61.141, 107.463
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution24.000 - 2.000
R-factor0.179
Rwork0.179
R-free0.20500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3cyr
RMSD bond length0.012
RMSD bond angle1.690
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0480.186
Total number of observations54926

*

Number of reflections8507
Completeness [%]99.399.8
Redundancy6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1other

*

7.6Morais, J., (1995) Biochemistry, 34, 12830.

*

222036

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