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4K8E

OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X6A
Synchrotron siteNSLS
BeamlineX6A
Temperature [K]100
Detector technologyCCD
Collection date2011-08-15
DetectorADSC QUANTUM 270
Wavelength(s)0.88560
Spacegroup nameP 43 21 2
Unit cell lengths141.135, 141.135, 42.850
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution24.204 - 1.269
R-factor0.1086
Rwork0.107
R-free0.12670
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.294
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.8.2_1309))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.2091.320
High resolution limit [Å]1.2691.270
Rmerge0.0690.547
Number of reflections113545
<I/σ(I)>32.592.47
Completeness [%]99.598.8
Redundancy9.99
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.32770.2M MgCl2, 0.1M HEPES, 30-40% PEG400, pH 8.3 , VAPOR DIFFUSION, HANGING DROP, temperature 277K

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