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1S5X

The crystal structure of Trematomus bernacchii hemoglobin oxidized by air

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date2002-07-02
DetectorMAC Science DIP-2030B
Spacegroup nameC 1 2 1
Unit cell lengths108.516, 65.095, 55.750
Unit cell angles90.00, 113.48, 90.00
Refinement procedure
Resolution20.000 - 2.400
R-factor0.195
Rwork0.190
R-free0.23300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.346
Number of reflections14020
Completeness [%]99.599.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIQUID DIFFUSION7.6293MPEG 5000, Tris, pH 7.6, LIQUID DIFFUSION, temperature 293K

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