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6G3M

Phosphotriesterase PTE_C23M_4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2015-02-17
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.541
Spacegroup nameP 43 21 2
Unit cell lengths69.930, 69.930, 185.810
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution22.960 - 1.665
R-factor0.15958
Rwork0.159
R-free0.18018
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1hyz
RMSD bond length0.028
RMSD bond angle2.420
Data reduction softwareHKL-3000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.9601.724
High resolution limit [Å]1.6651.665
Rmerge0.0280.209
Number of reflections541905181
<I/σ(I)>11.932.95
Completeness [%]98.496.59
Redundancy6.56.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82930.1M Tris pH=8 1M (NH4)2SO4 12% Glycerol

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