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3X16

Crystal structure of the catalase-peroxidase KatG W78F mutant from Synechococcus elongatus PCC7942

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL38B1
Synchrotron siteSPring-8
BeamlineBL38B1
Temperature [K]100
Detector technologyCCD
Collection date2014-10-28
DetectorRAYONIX MX225HE
Wavelength(s)1.0
Spacegroup nameP 41 21 2
Unit cell lengths108.254, 108.254, 203.225
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.330 - 2.650
R-factor0.1995
Rwork0.197
R-free0.25380
RMSD bond length0.017
RMSD bond angle1.917
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.740
High resolution limit [Å]2.6505.7102.650
Rmerge0.1620.1160.491
Rmeas0.1210.513
Rpim0.0320.143
Number of reflections35801
<I/σ(I)>12.4
Completeness [%]99.899.599.4
Redundancy1214.411.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.32774.3M Sodium formate, 0.1M sodium citrate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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