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5E4T

Acetylcholinesterase Methylene Blue with PEG

Replaces:  2W9I
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2012-02-01
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 31 2 1
Unit cell lengths111.114, 111.114, 137.090
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution96.230 - 2.430
R-factor0.17468
Rwork0.173
R-free0.20630
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2W9I
RMSD bond length0.005
RMSD bond angle1.089
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]96.2302.520
High resolution limit [Å]2.4302.430
Rmerge0.050
Number of reflections35368
<I/σ(I)>34.85.5
Completeness [%]99.997.2
Redundancy52
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.527746% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5.

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