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5SW4

Crystal structure of native catalase-peroxidase KatG at pH8.0

Replaces:  2B2O
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]100
Detector technologyCCD
Collection date2005-04-28
DetectorMARRESEARCH
Wavelength(s)0.97951
Spacegroup nameP 21 21 21
Unit cell lengths100.778, 115.981, 174.844
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.1418
Rwork0.139
R-free0.17120
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.029
RMSD bond angle2.269
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]96.6501.940
High resolution limit [Å]1.9001.900
Number of reflections144966
<I/σ(I)>16.42.8
Completeness [%]99.9
Redundancy4.13.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% MPD, pH 5.6 0.1 M sodium citrate

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