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4G9A

Crystal structure of calcium2+-bound wild-type CD23 lectin domain

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyCCD
Collection date2010-08-06
DetectorADSC QUANTUM 315r
Wavelength(s)0.9763
Spacegroup nameP 1
Unit cell lengths54.243, 53.705, 56.641
Unit cell angles112.92, 88.53, 114.96
Refinement procedure
Resolution38.839 - 2.001
R-factor0.155
Rwork0.152
R-free0.20540
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2h2r
RMSD bond length0.006
RMSD bond angle0.963
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwarePHENIX (1.7_650)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.070
High resolution limit [Å]2.0002.000
Number of reflections34951
Completeness [%]97.996.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.729118.5% PEG 6000, 2% 1,6-hexanediol, 0.05M ammonium sulphate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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