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3H0R

Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2007-03-20
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97934
Spacegroup nameP 1
Unit cell lengths127.377, 130.411, 153.973
Unit cell angles89.89, 90.21, 89.95
Refinement procedure
Resolution48.970 - 3.000
R-factor0.26515
Rwork0.263
R-free0.30604
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3h0l
RMSD bond length0.014
RMSD bond angle1.482
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASES
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.0003.110
High resolution limit [Å]3.0003.000
Rmerge0.1120.710
Number of reflections182013
<I/σ(I)>5.81.2
Completeness [%]91.284.5
Redundancy1.71.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52931:1 ratio of Protein solution (6-9mg/ml GatCAB,10mM HEPES, 50uM Zn acetate,10mM Asn, 0.6mM ATP) mix with well solution (10-12% PEG3350, 10mM Mg formate), crystal soaked in the mother liquor with 10mMAsn, 10mM Asp, 10mM ATP, 10mM MnCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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