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7XN1

Crystal structure of human acetylcholinesterase in complex with tacrine

Replaces:  7E3I
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2020-09-11
DetectorDECTRIS EIGER2 X 16M
Wavelength(s)0.7
Spacegroup nameP 31 2 1
Unit cell lengths104.578, 104.578, 322.501
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution47.020 - 2.850
R-factor0.1948
Rwork0.193
R-free0.24000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4ey4
RMSD bond length0.010
RMSD bond angle1.062
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.17.1_3660: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.0202.940
High resolution limit [Å]2.8502.850
Rmerge0.1500.566
Number of reflections485764372
<I/σ(I)>2.6
Completeness [%]99.8
Redundancy4.2
CC(1/2)0.9880.840
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP9293.15100 mM Tris HCl buffer pH 9.0, 20 % PEG 3350, 200 mM KNO3

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