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1WR8

Crystal structure of hypothetical protein PH1421 from Pyrococcus horikoshii.

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]103
Detector technologyIMAGE PLATE
Collection date2004-07-04
DetectorRIGAKU RAXIS V
Wavelength(s)1.0000, 1.590996, 1.591394, 1.594101
Spacegroup nameP 21 21 21
Unit cell lengths63.795, 81.772, 86.949
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.000 - 1.600
R-factor0.1973
Rwork0.197
R-free0.21170
Structure solution methodMAD
RMSD bond length0.005
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0001.660
High resolution limit [Å]1.6001.600
Rmerge0.0430.296
Number of reflections59382
<I/σ(I)>19.16.2
Completeness [%]98.296.9
Redundancy6.15.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH4.6291ammonium acetate, sodium acetate, PEG 4000, glycerol, potassium dihydrogen phosphate, pH 4.6, MICROBATCH, temperature 291K

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