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6CQV

Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2016-04-09
DetectorRAYONIX MX300-HS
Wavelength(s)0.97932
Spacegroup nameP 31 2 1
Unit cell lengths104.374, 104.374, 323.631
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution39.457 - 2.601
R-factor0.1679
Rwork0.166
R-free0.20890
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4ey4
RMSD bond length0.003
RMSD bond angle0.674
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.11.1_2575: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.640
High resolution limit [Å]2.6012.601
Rmerge0.0590.404
Rpim0.0270.187
Number of reflections62304
<I/σ(I)>26.84.1
Completeness [%]98.799.7
Redundancy5.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729515 to 21% PEG 3350, 0.17-0.21M potassium nitrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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