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1SH8

1.5 A Crystal Structure of a Protein of Unknown Function PA5026 from Pseudomonas aeruginosa, Probable Thioesterase

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2004-02-08
DetectorSBC-2
Wavelength(s)0.9795,0.9797,0.94656
Spacegroup nameP 21 21 21
Unit cell lengths56.608, 72.231, 91.051
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution23.240 - 1.500
R-factor0.197
Rwork0.197
R-free0.21700
Structure solution methodMAD
RMSD bond length0.008
RMSD bond angle1.400
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.550
High resolution limit [Å]1.5001.500
Rmerge0.0650.387
Number of reflections109285
<I/σ(I)>21.251.98
Completeness [%]95.064.4
Redundancy4.972.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6298NaForm 2M, 0.1M NaAcet. 2%MPD, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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