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2VA9

Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2006-05-20
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths91.420, 106.550, 150.150
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.960 - 2.400
R-factor0.205
Rwork0.205
R-free0.24800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1w75
RMSD bond length0.006
RMSD bond angle1.300
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.500
High resolution limit [Å]2.4002.400
Rmerge0.1100.450
Number of reflections58014
<I/σ(I)>13.063.65
Completeness [%]99.999.9
Redundancy6.076.11
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1627732% PEG200, 150MM MES, PH6, 4 DEG. C., pH 6.0

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