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6IIX

The crystal structure of acyltransferase mutant, orf11*-W163A, in complex with octanoyl-CoA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2015-10-20
DetectorRAYONIX MX300HE
Wavelength(s)0.9
Spacegroup nameP 65
Unit cell lengths132.536, 132.536, 48.598
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.000 - 1.730
R-factor0.1908
Rwork0.190
R-free0.21233
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4mfl
RMSD bond length0.010
RMSD bond angle1.443
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.790
High resolution limit [Å]1.7301.730
Number of reflections510385049
<I/σ(I)>27.1
Completeness [%]99.8
Redundancy5.3
CC(1/2)0.766
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1M MES pH 6.3-6.5, 0.2M Ammonium Sulfate, 35% PEG 5000 MME

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