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4FCN

The crystal structures of several mutants of pleurotus eryngii versatile peroxidase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2007-04-20
DetectorADSC QUANTUM 4r
Wavelength(s)0.933
Spacegroup nameI 41
Unit cell lengths96.338, 96.338, 98.943
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.170 - 1.700
R-factor0.14793
Rwork0.147
R-free0.17378
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2vka
RMSD bond length0.035
RMSD bond angle2.519
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.1701.790
High resolution limit [Å]1.7001.700
Rmerge0.0830.495
Number of reflections48216
<I/σ(I)>12.93
Completeness [%]99.999.7
Redundancy4.24.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP52951.4 M ammonium sulfate, 0.1 M sodium cacodilate and 2% 1,3-propanediol, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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