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3T28

TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOXFORD DIFFRACTION NOVA
Temperature [K]100
Detector technologyCCD
Collection date2010-10-14
DetectorOXFORD ONYX CCD
Wavelength(s)1.54
Spacegroup nameP 41 21 2
Unit cell lengths53.927, 53.927, 181.905
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.150 - 2.800
R-factor0.18469
Rwork0.182
R-free0.24788
RMSD bond length0.013
RMSD bond angle1.695
Data reduction softwareCrysalisPro
Data scaling softwareSCALA (3.3.16)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]51.70020.1482.950
High resolution limit [Å]2.8008.8502.800
Rmerge0.0370.286
Number of reflections7217
<I/σ(I)>20172.6
Completeness [%]99.791.7100
Redundancy107.310.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP629840 mg/mL protein in 50 mM benzamidine, 3.75 M TMAO, 0.2 M AmSO4, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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