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5V10

Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2016-08-20
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameC 1 2 1
Unit cell lengths97.994, 62.279, 52.792
Unit cell angles90.00, 112.52, 90.00
Refinement procedure
Resolution51.310 - 1.900
R-factor0.22315
Rwork0.220
R-free0.28308
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1s5u
RMSD bond length0.015
RMSD bond angle1.649
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]51.3101.930
High resolution limit [Å]1.9001.900
Rmerge0.1010.468
Rpim0.0490.305
Number of reflections21234659
<I/σ(I)>13.92.1
Completeness [%]91.557.5
Redundancy42.4
CC(1/2)0.820
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72930.1 M Succinic Acid pH 7.0, 15 % PEG3350

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