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4QFW

Crystal structure of acyl-CoA thioesterase tesB from Yersinia pestis

Replaces:  4GWH
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyCCD
Collection date2012-08-01
DetectorADSC QUANTUM 315r
Wavelength(s)0.9537
Spacegroup nameP 1 21 1
Unit cell lengths51.230, 171.620, 73.700
Unit cell angles90.00, 109.62, 90.00
Refinement procedure
Resolution24.290 - 2.000
R-factor0.22313
Rwork0.221
R-free0.26813
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1c8u
RMSD bond length0.017
RMSD bond angle1.685
Data reduction softwareMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.2902.040
High resolution limit [Å]2.0002.000
Rmerge0.1030.211
Number of reflections75550
<I/σ(I)>10.35.6
Completeness [%]93.787.3
Redundancy5.96.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729620% PEG3350, 235mM sodium malonate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 296K

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