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3SEI

Crystal Structure of Caskin1 Tandem SAMs

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.1
Synchrotron siteALS
Beamline8.2.1
Temperature [K]100
Detector technologyCCD
Collection date2009-05-02
DetectorADSC QUANTUM 315r
Wavelength(s)1.0000
Spacegroup nameP 41
Unit cell lengths93.114, 93.114, 39.750
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution90.000 - 2.400
R-factor0.2033
Rwork0.201
R-free0.24260
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2qkq
RMSD bond length0.015
RMSD bond angle1.481
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]90.00090.0002.490
High resolution limit [Å]2.4005.1702.400
Rmerge0.1140.0370.503
Number of reflections13750
<I/σ(I)>9.5
Completeness [%]100.099.7100
Redundancy6.46.16.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.92931.5 M ammonium sulfate, 75 mM Tris, 25 % glycerol, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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