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3EU1

Crystal Structure determination of goat hemoglobin (Capra hircus) at 3 angstrom resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date2008-07-16
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths53.678, 66.896, 157.593
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution22.080 - 3.000
R-factor0.21906
Rwork0.213
R-free0.27796
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3d1a
RMSD bond length0.022
RMSD bond angle2.095
Data reduction softwareAUTOMAR
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0003.110
High resolution limit [Å]3.0003.000
Number of reflections9607
<I/σ(I)>2.90.7
Completeness [%]89.793
Redundancy4.123.55
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52932micro litres of Hb with 2micro litre of well solution containing 25mM of Phosphate buffer at pH 7.5 with 0.5M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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