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2ZDG

Crystal structure of D-Alanine:D-Alanine Ligase with ADP from Thermus thermophius HB8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B2
Synchrotron siteSPring-8
BeamlineBL26B2
Temperature [K]100
Detector technologyCCD
Collection date2006-05-26
DetectorRIGAKU JUPITER 210
Wavelength(s)1.1
Spacegroup nameP 21 21 21
Unit cell lengths69.104, 101.068, 197.542
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.400 - 2.200
R-factor0.214
Rwork0.214
R-free0.26200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2yzg
RMSD bond length0.006
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0630.251
Number of reflections67928
<I/σ(I)>30.084.74
Completeness [%]95.469.8
Redundancy9.56
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.829316% PEG3350, 0.1M Bis-Tris, 0.1M Mg Formate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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