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2QWZ

CRYSTAL STRUCTURE OF A PUTATIVE THIOESTERASE (TM1040_1390) FROM SILICIBACTER SP. TM1040 AT 2.15 A RESOLUTION

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyCCD
Collection date2007-07-20
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.97916
Spacegroup nameP 31 2 1
Unit cell lengths95.307, 95.307, 132.634
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.228 - 2.150
R-factor0.203
Rwork0.200
R-free0.25200
Structure solution methodSAD
RMSD bond length0.015
RMSD bond angle1.560
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareSHELX
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]28.22828.2282.210
High resolution limit [Å]2.1509.6202.150
Rmerge0.1460.0551.024
Total number of observations292921045
Number of reflections38522
<I/σ(I)>4.280.7
Completeness [%]100.096.2100
Redundancy7.46.17.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.6277NANODROP, 0.16M (NH4)2SO4, 20.0% Glycerol, 20.0% PEG 4000, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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