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5SW6

Crystal structure of an oxoferryl species of catalase-peroxidase KatG at pH5.6

Replaces:  2B2R
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM16
Synchrotron siteESRF
BeamlineBM16
Temperature [K]100
Detector technologyCCD
Collection date2005-02-18
DetectorMARRESEARCH
Wavelength(s)1.00801
Spacegroup nameP 21 21 21
Unit cell lengths100.211, 114.658, 174.378
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.1445
Rwork0.141
R-free0.17490
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.026
RMSD bond angle2.183
Data reduction softwareDENZO
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.8001.970
High resolution limit [Å]1.9001.900
Number of reflections140763
<I/σ(I)>22.54.4
Completeness [%]98.997.9
Redundancy7.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% MPD, pH 5.6 0.1 M sodium citrate

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