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1WU8

Crystal structure of project PH0463 from Pyrococcus horikoshii OT3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyCCD
Collection date2004-06-29
DetectorRIGAKU JUPITER
Wavelength(s)0.979056
Spacegroup nameP 41 2 2
Unit cell lengths138.756, 138.756, 139.691
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.660 - 2.600
R-factor0.195
Rwork0.195
R-free0.22800
Structure solution methodSAD
RMSD bond length0.007
RMSD bond angle1.500
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.690
High resolution limit [Å]2.6002.600
Rmerge0.1090.421
Number of reflections42753
<I/σ(I)>8.53.6
Completeness [%]100.099.8
Redundancy13.311.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Microbach5.929144 v/v (%) MPD, 0.1M Citr., 10M Dioxane, pH 5.9, Microbach, temperature 291K

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