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4ME2

Crystal Structure of THA8 protein from Brachypodium distachyon

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2013-05-31
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameP 65
Unit cell lengths73.649, 73.649, 61.862
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 1.600
R-factor0.21377
Rwork0.212
R-free0.24394
Structure solution methodSAD
RMSD bond length0.006
RMSD bond angle1.038
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHELX
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.690
High resolution limit [Å]1.6001.600
Rmerge0.0420.883
Number of reflections25258
<I/σ(I)>30.42.9
Completeness [%]100.0100
Redundancy11.311.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.529518% PEG 1500, 0.1 M HEPES, pH 7.5, 0.2 M L-Proline, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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