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1UHB

Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]293
Detector technologyIMAGE PLATE
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths46.945, 53.921, 77.245
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.310 - 2.150
R-factor0.193
Rwork0.193
R-free0.22787
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)pdb code 1qqu
RMSD bond length0.040
RMSD bond angle2.597
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]76.7002.230
High resolution limit [Å]2.1502.150
Rmerge0.1400.140
Number of reflections9847
Redundancy3.53.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.72931.5M ammonium sulphate, pH 6.70, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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