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3ZI7

STRUCTURE OF FAE SOLVED BY SAD FROM DATA COLLECTED BY DIRECT DATA COLLECTION (DDC) USING THE GROB ROBOT GONIOMETER

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2011-11-10
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths65.609, 108.639, 113.317
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.300
R-factor0.1244
Rwork0.123
R-free0.15951
Structure solution methodSAD
Starting model (for MR)NONE
RMSD bond length0.020
RMSD bond angle1.881
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareSHELXCDE
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.380
High resolution limit [Å]2.3002.300
Rmerge0.0500.080
Number of reflections52409
<I/σ(I)>28.915.2
Completeness [%]99.294.2
Redundancy7.64.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.2pH 7.2

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