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2DN1

1.25A resolution crystal structure of human hemoglobin in the oxy form

Replaces:  2DFO
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL45XU
Synchrotron siteSPring-8
BeamlineBL45XU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2005-07-25
DetectorRIGAKU RAXIS V
Wavelength(s)1.0000
Spacegroup nameP 41 21 2
Unit cell lengths53.435, 53.435, 191.709
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.250
R-factor0.195
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle0.027
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0001.320
High resolution limit [Å]1.2501.250
Rmerge0.0530.277
Number of reflections73528
<I/σ(I)>22.5
Completeness [%]94.281.3
Redundancy4.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Batch6.7277sodium/potassium phosphate, glycerol, pH 6.7, Batch, temperature 277K

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