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3N7Z

Crystal structure of acetyltransferase from Bacillus anthracis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2006-12-19
DetectorADSC QUANTUM 315
Wavelength(s)0.97924
Spacegroup nameP 1 21 1
Unit cell lengths79.429, 176.859, 109.973
Unit cell angles90.00, 105.73, 90.00
Refinement procedure
Resolution50.000 - 2.750
R-factor0.19005
Rwork0.187
R-free0.24238
Structure solution methodSAD
RMSD bond length0.010
RMSD bond angle1.197
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.770
High resolution limit [Å]2.7502.750
Rmerge0.1490.929
Number of reflections75594
<I/σ(I)>19.22.26
Completeness [%]100.0100
Redundancy9.89.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72970.1M sodium HEPES, 20% PEG3350, 0.2M sodium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K

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