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2Q0O

Crystal structure of an anti-activation complex in bacterial quorum sensing

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]298
Detector technologyCCD
Collection date2005-06-09
DetectorNOIR-1
Wavelength(s)1.127
Spacegroup nameP 1
Unit cell lengths56.900, 62.480, 65.500
Unit cell angles94.87, 110.45, 99.17
Refinement procedure
Resolution39.850 - 2.000
R-factor0.235
Rwork0.235
R-free0.27600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1l3l
RMSD bond length0.007
RMSD bond angle1.200
Data reduction softwared*TREK
Data scaling softwared*TREK
Phasing softwarePHASER
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0880.464
Number of reflections53940
<I/σ(I)>5.41.3
Completeness [%]96.796.7
Redundancy1.961.96
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52981 mM DTT, 60 mM HEPES, 120 mM CaCl2, 16.8% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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