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2QSS

Bovine hemoglobin at pH 6.3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]93
Detector technologyCCD
Collection date2006-07-01
DetectorBRUKER PROTEUM-R
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths64.999, 78.381, 109.247
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution63.630 - 1.750
R-factor0.18
Rwork0.177
R-free0.22500
Starting model (for MR)2qsp
RMSD bond length0.014
RMSD bond angle1.380
Data reduction softwareSAINT
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]63.6301.800
High resolution limit [Å]1.7501.750
Number of reflections59622
Completeness [%]98.683.5
Redundancy4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.32980.3 M Na Cacodylate 17% PEG 3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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