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2AUQ

HbI (F97V) CO bound

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2000-06-02
DetectorRIGAKU RAXIS IIC
Wavelength(s)1.5418
Spacegroup nameC 1 2 1
Unit cell lengths93.110, 43.880, 83.500
Unit cell angles90.00, 121.89, 90.00
Refinement procedure
Resolution22.590 - 1.800
R-factor0.182
Rwork0.182
R-free0.21400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sdh
RMSD bond length0.005
RMSD bond angle0.900
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.6001.860
High resolution limit [Å]1.8001.800
Rmerge0.0630.158
Number of reflections22915
<I/σ(I)>12.64.9
Completeness [%]85.568.6
Redundancy2.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1SMALL TUBES7.5298Phosphate, pH 7.5, SMALL TUBES, temperature 298K

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