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3A82

Crystal Structure of Trypsin complexed with pre-synthesized (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorRIGAKU RAXIS IV
Wavelength(s)1.54
Spacegroup nameP 21 21 21
Unit cell lengths54.203, 58.281, 66.815
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.850 - 1.750
R-factor0.15365
Rwork0.152
R-free0.17864
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3a7t
RMSD bond length0.010
RMSD bond angle1.223
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareLAFIRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.810
High resolution limit [Å]1.7501.750
Rmerge0.0710.162
<I/σ(I)>20.96.4
Completeness [%]99.998.8
Redundancy5.43.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52770.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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