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5SX0

Crystal structure of an oxoferryl species of catalase-peroxidase KatG at pH7.5

Replaces:  2B2S
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2005-03-06
DetectorADSC QUANTUM 4
Wavelength(s)1.00632
Spacegroup nameP 21 21 21
Unit cell lengths100.359, 114.886, 174.626
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.1622
Rwork0.159
R-free0.19390
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.023
RMSD bond angle2.004
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.9802.070
High resolution limit [Å]2.0002.000
Rmerge0.506
Number of reflections120518
<I/σ(I)>7.6
Completeness [%]98.099.9
Redundancy3.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% MPD, pH 5.6 0.1 M sodium citrate

219869

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