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4GJ0

Crystal structure of CD23 lectin domain mutant S252A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyCCD
Collection date2010-12-10
DetectorADSC QUANTUM 315
Wavelength(s)0.9795
Spacegroup nameP 1
Unit cell lengths52.501, 56.867, 62.680
Unit cell angles68.06, 88.22, 73.53
Refinement procedure
Resolution31.275 - 1.953
R-factor0.1685
Rwork0.166
R-free0.21210
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2h2r
RMSD bond length0.007
RMSD bond angle1.031
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwarePHENIX (1.7_650)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.020
High resolution limit [Å]1.9501.950
Number of reflections45157
Completeness [%]97.193.7
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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