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3RME

AMCase in complex with Compound 5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]93
Detector technologyCCD
Collection date2006-01-01
DetectorADSC QUANTUM 210
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths63.558, 89.482, 126.480
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.684 - 1.800
R-factor0.17691
Rwork0.176
R-free0.19876
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3fy1
RMSD bond length0.007
RMSD bond angle0.964
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.800
Number of reflections65507
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5293pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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