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4FKB

An Organic solvent tolerant lipase 42

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]200
Detector technologyCCD
Collection date2011-02-07
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.75
Spacegroup nameC 1 2 1
Unit cell lengths117.824, 81.001, 99.529
Unit cell angles90.00, 96.69, 90.00
Refinement procedure
Resolution50.000 - 1.220
R-factor0.12894
Rwork0.127
R-free0.16458
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.025
RMSD bond angle2.308
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHELXS
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.252
High resolution limit [Å]1.2201.220
Rmerge0.056
Number of reflections275120
Completeness [%]93.793.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIQUID DIFFUSION8293.15Counter-diffusion method without mixing the protein and precipitant, pH 8, LIQUID DIFFUSION, temperature 293.15K

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