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3FJ5

Crystal structure of the c-src-SH3 domain

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM16
Synchrotron siteESRF
BeamlineBM16
Temperature [K]110
Detector technologyCCD
Collection date2008-03-03
DetectorMar CCD-165
Wavelength(s)0.97
Spacegroup nameP 65
Unit cell lengths46.596, 46.596, 128.064
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 1.650
R-factor0.206
Rwork0.206
R-free0.22200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2hda
RMSD bond length0.010
RMSD bond angle2.029
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.2.25)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]40.35740.3601.690
High resolution limit [Å]1.6005.0601.600
Rmerge0.0780.0640.543
Total number of observations385820221
Number of reflections19644
<I/σ(I)>4.7018.81.4
Completeness [%]95.690.395
Redundancy7.16.67.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP52881.7M Ammonium sulphate, 5% PEG300, 10% glycerol, 0.1M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 288K

220113

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