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6HSP

Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA and octanoyl-CoA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2015-05-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.2822
Spacegroup nameC 1 2 1
Unit cell lengths132.180, 81.320, 96.630
Unit cell angles90.00, 126.08, 90.00
Refinement procedure
Resolution42.880 - 1.730
R-factor0.19192
Rwork0.190
R-free0.22733
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6hrv
RMSD bond length0.013
RMSD bond angle1.558
Data reduction softwareXDS (November 3, 2014)
Data scaling softwareXDS (November 3, 2014)
Phasing softwarePHASER (2.5.7)
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.8801.830
High resolution limit [Å]1.7301.730
Rpim0.0600.380
Number of reflections8569412971
<I/σ(I)>8.42
Completeness [%]99.197.6
Redundancy3.22.6
CC(1/2)0.9960.403
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7277100 mM MOPS, pH 7.0, 10 % PEG6000, 20% glycerol

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