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3RDR

Structure of the catalytic domain of XlyA

Replaces:  3HMA
Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 12.3.1
Synchrotron siteALS
Beamline12.3.1
Detector technologyCCD
Collection date2005-12-16
DetectorADSC QUANTUM 315r
Wavelength(s)1.28279
Spacegroup nameP 63 2 2
Unit cell lengths96.700, 96.700, 114.300
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution48.350 - 2.200
R-factor0.219
Rwork0.219
R-free0.23500
Structure solution methodMAD
RMSD bond length0.005
RMSD bond angle1.400
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSOLVE
Refinement softwareCNS (1.2)
Data quality characteristics
 Overall
Low resolution limit [Å]100.000
High resolution limit [Å]2.000
Rmerge0.088
Number of reflections30364
<I/σ(I)>18.6
Completeness [%]100.0
Redundancy11.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.229840% peg400, 0.1M mes, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1VAPOR DIFFUSION, HANGING DROP6.229840% peg400, 0.1M mes, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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