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5GIG

Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13C1
Synchrotron siteNSRRC
BeamlineBL13C1
Temperature [K]100
Detector technologyCCD
Collection date2015-12-25
DetectorADSC QUANTUM 315r
Wavelength(s)0.97622
Spacegroup nameP 21 21 21
Unit cell lengths44.190, 56.338, 83.875
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.044 - 1.300
R-factor0.1589
Rwork0.158
R-free0.18260
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.262
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER (2.5.2)
Refinement softwarePHENIX (1.8.1_1168)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0001.310
High resolution limit [Å]1.2602.7101.260
Rmerge0.0610.0350.677
Rmeas0.0670.0390.748
Rpim0.0260.0150.312
Total number of observations371664
Number of reflections56629
<I/σ(I)>11.6
Completeness [%]98.699.387.3
Redundancy6.66.54.8
CC(1/2)0.9990.832
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2771.0M NaH2PO4/1.6M K2HPO4, 0.1M Imidazole, 0.2M NaCl

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PDB entries from 2024-10-30

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