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3PGQ

Crystal Structure of the Carboxyltransferase Domain of S. cerevisiae Acetyl CoA Carboxylase in Complex with Pinoxaden

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2010-04-28
DetectorADSC QUANTUM 315r
Wavelength(s)1.08
Spacegroup nameC 1 2 1
Unit cell lengths247.180, 123.415, 145.711
Unit cell angles90.00, 94.29, 90.00
Refinement procedure
Resolution30.000 - 2.800
R-factor0.199
Rwork0.197
R-free0.23900
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.303
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCOMO
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.900
High resolution limit [Å]2.8006.0202.800
Rmerge0.0990.0700.438
Number of reflections106428
<I/σ(I)>16.2
Completeness [%]99.398.698.9
Redundancy4.754.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.5277.159% PEG8000, 0.1M sodium citrate pH 5.5, 10% glycerol, 0.2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K

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