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5SXS

Crystal structure of catalase-peroxidase KatG with isonicotinic acid hydrazide and AMP bound

Replaces:  3N3P
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2009-08-27
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97934
Spacegroup nameP 21 21 21
Unit cell lengths100.436, 114.172, 174.232
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.887
R-factor0.1633
Rwork0.162
R-free0.19270
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.023
RMSD bond angle2.036
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.5002.000
High resolution limit [Å]1.8871.887
Rmerge0.1100.717
Number of reflections145103
<I/σ(I)>9.21.9
Completeness [%]90.187
Redundancy3.62.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG 4000, 20% MPD, 25 mM NaCl, 0.1 M sodium citrate pH 5.6

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