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6XYS

Update of native acetylcholinesterase from Drosophila Melanogaster

Replaces:  1QO9
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1998-01-19
DetectorMAR scanner 345 mm plate
Wavelength(s)1.0
Spacegroup nameP 43 21 2
Unit cell lengths94.620, 94.620, 159.010
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.180 - 2.460
R-factor0.2326
Rwork0.229
R-free0.29620
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qo9
RMSD bond length0.008
RMSD bond angle1.044
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.16_3549)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.1802.543
High resolution limit [Å]2.4552.455
Rmerge0.0490.335
Rmeas0.0520.387
Rpim0.0180.185
Number of reflections268032542
<I/σ(I)>20.73.3
Completeness [%]98.5
Redundancy6
CC(1/2)0.9990.939
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.629213% MPEG2000, 0.1 M ammonium sulfate, 0.03 M leucine, 0.1 M acetate, pH 4.6

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