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4MQK

Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant HbF Toms River alphawtgammaV67M

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]100
Detector technologyCCD
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.07
Spacegroup nameP 1 21 1
Unit cell lengths106.040, 52.229, 106.381
Unit cell angles90.00, 114.27, 90.00
Refinement procedure
Resolution45.073 - 2.242
R-factor0.1769
Rwork0.175
R-free0.23220
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.092
Data scaling softwareSCALEPACK
Refinement softwarePHENIX (1.8.3_1479)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]100.000100.0001.950
High resolution limit [Å]1.9205.2101.920
Rmerge0.0490.0380.417
Number of reflections50708
<I/σ(I)>17.5
Completeness [%]93.582.595.9
Redundancy2.92.72.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION72981.9M Sodium/Potassium Phosphate, Batch method, pH 7, EVAPORATION, temperature 298K

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