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4XL4

Crystal structure of thiolase from Clostridium acetobutylicum in complex with CoA

Replaces:  4N46
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron sitePAL/PLS
Beamline7A (6B, 6C1)
Temperature [K]100
Detector technologyCCD
Collection date2014-12-23
DetectorADSC QUANTUM 270
Wavelength(s)0.97934
Spacegroup nameP 21 21 2
Unit cell lengths204.307, 54.171, 73.112
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 1.900
R-factor0.1441
Rwork0.142
R-free0.18260
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4n45
RMSD bond length0.018
RMSD bond angle1.886
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.0910.282
Number of reflections65291
<I/σ(I)>33.15.6
Completeness [%]99.999.9
Redundancy76
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.2295PEG 3350, K-citrate, NaCl

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