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4ROT

Crystal structure of esterase A from Streptococcus pyogenes

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2005-09-24
DetectorADSC QUANTUM 210
Wavelength(s)0.93937
Spacegroup nameI 4 2 2
Unit cell lengths103.980, 103.980, 133.631
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution14.890 - 1.800
R-factor0.15941
Rwork0.158
R-free0.19319
Structure solution methodMAD
RMSD bond length0.023
RMSD bond angle2.107
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0001.810
High resolution limit [Å]1.7501.750
Rmerge0.0810.496
Number of reflections37068
<I/σ(I)>10.4
Completeness [%]99.899.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52930.1 M HEPES, 20% PEG4000, 10% 2-propanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1VAPOR DIFFUSION, HANGING DROP7.52930.1 M HEPES, 20% PEG4000, 10% 2-propanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1VAPOR DIFFUSION, HANGING DROP7.52930.1 M HEPES, 20% PEG4000, 10% 2-propanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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