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3TTX

Structure of the F413K variant of E. coli KatE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2009-07-14
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97934
Spacegroup nameP 1 21 1
Unit cell lengths93.500, 132.960, 122.030
Unit cell angles90.00, 109.69, 90.00
Refinement procedure
Resolution35.182 - 1.740
R-factor0.1477
Rwork0.146
R-free0.18490
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gge
RMSD bond length0.027
RMSD bond angle2.029
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.15)
Phasing softwareREFMAC
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]35.18235.1821.830
High resolution limit [Å]1.7405.5001.740
Rmerge0.0510.458
Total number of observations35391125281
Number of reflections278239
<I/σ(I)>9.711.31.6
Completeness [%]97.299.689.8
Redundancy3.73.83.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP929317% PEG3350, 1.6 M lithium chloride, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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