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4NIX

Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Wavelength(s)0.9184
Spacegroup nameP 21 21 21
Unit cell lengths54.404, 58.550, 67.316
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.177 - 1.300
R-factor0.1313
Rwork0.130
R-free0.15690
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.146
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.8_1069)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]44.1771.380
High resolution limit [Å]1.3003.8801.300
Rmerge0.0460.0310.252
Number of reflections5190221707052
<I/σ(I)>25.253.195.55
Completeness [%]96.699.682.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52930.1 M Tris/HCl, 0.2 M Li2SO4, 20% (w/v) polyethyleneglycol 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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