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3KKI

PLP-Dependent Acyl-CoA transferase CqsA

Replaces:  3HQS
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2007-10-17
DetectorADSC QUANTUM 315r
Spacegroup nameP 21 21 2
Unit cell lengths70.621, 177.443, 70.677
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.810 - 1.800
R-factor0.209
Rwork0.207
R-free0.23400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bs0
RMSD bond length0.006
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.860
High resolution limit [Å]1.8001.800
Number of reflections82364
<I/σ(I)>25.0365.137
Completeness [%]99.799.2
Redundancy9.48.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.51.25 M AMMONIUM SULFATE, 100 MM BIS -TRIS PROPANE, 10 MM DITHIOTHREITOL, 50 UM AMINO-CAI-1, 0.1% (V/V) DIMETHYL SULFOXIDE, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 296K

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