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3DD9

Structure of DocH66Y dimer

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineX13
Temperature [K]298
Detector technologyCCD
Collection date2007-10-25
DetectorMAR CCD 165 mm
Wavelength(s)0.8081
Spacegroup nameP 1 21 1
Unit cell lengths53.084, 197.988, 54.109
Unit cell angles90.00, 93.04, 90.00
Refinement procedure
Resolution14.986 - 2.450
R-factor0.2132
Rwork0.211
R-free0.24540
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3dd7
RMSD bond length0.014
RMSD bond angle1.565
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.510
High resolution limit [Å]2.4502.450
Rmerge0.1000.680
Number of reflections40809
<I/σ(I)>7.72.2
Redundancy3.83.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529320% PEG10000, 0.1M TRIS, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

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