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2RC2

Cytochrome C Peroxidase W191G in complex with 1-methyl-2-vinyl-pyridinium

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]110
Detector technologyCCD
Collection date2007-05-03
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths51.039, 75.511, 106.928
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.500
R-factor0.147
Rwork0.146
R-free0.16700
Starting model (for MR)1ac4
RMSD bond length0.009
RMSD bond angle1.143
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareREFMAC
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.550
High resolution limit [Å]1.5001.500
Rmerge0.0420.196
Number of reflections66540
<I/σ(I)>15.9
Completeness [%]99.698.7
Redundancy4.44
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16291MES, MPD, pH 6.0, vapor diffusion, hanging drop, temperature 291K, pH 6.00

219869

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