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4F17

Crystal Structure of the alpha spectrin SH3 domain at pH 9

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM16
Synchrotron siteESRF
BeamlineBM16
Temperature [K]100
Detector technologyCCD
Collection date2008-03-03
DetectorADSC QUANTUM 210r
Wavelength(s)0.98
Spacegroup nameP 21 21 21
Unit cell lengths34.433, 42.342, 49.984
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution14.998 - 1.550
R-factor0.2009
Rwork0.200
R-free0.21720
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1shg
RMSD bond length0.017
RMSD bond angle1.917
Data reduction softwareDENZO
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwarePHENIX (1.7.3_928)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.610
High resolution limit [Å]1.5501.550
Rmerge0.0560.354
Number of reflections11117
<I/σ(I)>8.84.6
Completeness [%]95.597.6
Redundancy3.13
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1capillary counterdiffusion92980.1M Tris-HCl, 20% PEG 400, 15% PEG 4000, 10% PEG 8000, pH 9, capillary counterdiffusion, temperature 298K

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