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5ENK

Compound 18

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2012-04-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.000
Spacegroup nameP 61 2 2
Unit cell lengths101.924, 101.924, 171.025
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution88.390 - 2.110
R-factor0.23361
Rwork0.233
R-free0.25365
RMSD bond length0.006
RMSD bond angle0.873
Data reduction softwareHKL-2000
Data scaling softwareautoPROC
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 Overall
Low resolution limit [Å]88.390
High resolution limit [Å]2.110
Number of reflections30771
<I/σ(I)>28.6
Completeness [%]99.8
Redundancy19.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION29510% PEG MME 5K, 9% PEG 8K, 0.2 M NH4I, 0.2 M Na-citrate pH 6.4

221051

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