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2CWL

Crystal structure of manganese-free form of pseudocatalase from Thermus thermophilus HB8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B2
Synchrotron siteSPring-8
BeamlineBL26B2
Temperature [K]100
Detector technologyCCD
Collection date2004-10-29
DetectorRIGAKU JUPITER 210
Wavelength(s)1.00000
Spacegroup nameP 21 3
Unit cell lengths131.360, 131.360, 131.360
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.790 - 1.650
R-factor0.166
Rwork0.166
R-free0.18100
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareCrystalClear
Data scaling softwareCrystalClear
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.4401.710
High resolution limit [Å]1.6501.650
Rmerge0.0690.308
Number of reflections90305
<I/σ(I)>21.16
Completeness [%]99.8100
Redundancy19.149.36
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP929340% PEG400, 0.1M Tris-HCl, 0.25M Li sulfate, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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