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3URD

T181A mutant of alpha-Lytic Protease

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]100
Detector technologyCCD
Collection date2007-01-21
DetectorADSC QUANTUM 315
Wavelength(s)0.8
Spacegroup nameP 32 2 1
Unit cell lengths65.770, 65.770, 79.613
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 1.080
R-factor0.12727
Rwork0.127
R-free0.14183
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.390
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.100
High resolution limit [Å]1.0801.080
Number of reflections85721
<I/σ(I)>26.82.9
Completeness [%]100.099.9
Redundancy10
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82931.3 M lithium sulfate and 20 mM Tris sulfate, pH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K

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