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3U23

Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2011-02-13
DetectorPSI PILATUS 6M
Wavelength(s)0.97625
Spacegroup nameC 1 2 1
Unit cell lengths53.130, 32.040, 39.180
Unit cell angles90.00, 92.56, 90.00
Refinement procedure
Resolution27.430 - 1.110
R-factor0.15151
Rwork0.151
R-free0.16663
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)pdb entries 2G6F 1oeb 2ak5 2fei 3iql
RMSD bond length0.025
RMSD bond angle2.271
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.4301.140
High resolution limit [Å]1.1101.110
Rmerge0.0560.521
Number of reflections24275
<I/σ(I)>14.982.24
Completeness [%]92.859.9
Redundancy62.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52980.1 M HEPES pH 7.5, 1.4 M tri-sodium citrate dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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