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8TMS

Crystal structure of bacterial pectin methylesterase PmeC2 from rumen Butyrivibrio

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-03-31
DetectorDECTRIS EIGER2 S 9M
Wavelength(s)0.95372
Spacegroup nameP 1
Unit cell lengths48.638, 76.282, 96.779
Unit cell angles98.36, 104.16, 90.05
Refinement procedure
Resolution47.170 - 2.300
R-factor0.20625
Rwork0.204
R-free0.24013
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.298
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0411)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.2002.370
High resolution limit [Å]2.3002.300
Rmerge0.1481.404
Rmeas0.1731.639
Rpim0.0890.842
Total number of observations16208
Number of reflections560004465
<I/σ(I)>5.40.6
Completeness [%]95.1
Redundancy3.73.6
CC(1/2)0.9940.349
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52980.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 20 % w/v PEG 8000

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