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2BH5

X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 295 K.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR78
Temperature [K]295
Detector technologyIMAGE PLATE
Collection date2003-08-03
DetectorMAR scanner 345 mm plate
Spacegroup nameP 21 21 21
Unit cell lengths31.457, 43.011, 87.954
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.850 - 1.950
R-factor0.187
Rwork0.185
R-free0.23300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1cot
RMSD bond length0.009
RMSD bond angle1.153
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.8501.990
High resolution limit [Å]1.9501.950
Rmerge0.1200.390
Number of reflections9207
<I/σ(I)>13.62.8
Completeness [%]99.392.5
Redundancy6.25
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
193.2 M AMMONIUM SULFATE, 0.1 M BICINE PH 9

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