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3AFV

Dye-decolorizing peroxidase (DyP) at 1.4 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron sitePhoton Factory
BeamlineAR-NE3A
Temperature [K]95
Detector technologyCCD
Collection date2009-06-15
DetectorADSC QUANTUM 270
Wavelength(s)1.0000
Spacegroup nameP 1 21 1
Unit cell lengths46.789, 95.968, 50.303
Unit cell angles90.00, 103.84, 90.00
Refinement procedure
Resolution48.850 - 1.400
R-factor0.179
Rwork0.178
R-free0.19700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB 2d3q
RMSD bond length0.009
RMSD bond angle1.271
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0072)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.420
High resolution limit [Å]1.4003.8001.400
Rmerge0.0730.0490.357
Number of reflections83584
<I/σ(I)>9.3
Completeness [%]98.998.793.8
Redundancy3.73.63.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6278PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K

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