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3T32

Crystal structure of a putative C-S lyase from Bacillus anthracis

Replaces:  3KAX
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]110
Detector technologyCCD
Collection date2010-02-11
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.12714
Spacegroup nameP 21 21 21
Unit cell lengths52.291, 84.655, 170.750
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.500 - 2.000
R-factor0.1753
Rwork0.174
R-free0.20660
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3KAX
RMSD bond length0.007
RMSD bond angle0.896
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.7.1_743)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0920.557
Number of reflections51856
<I/σ(I)>152.3
Completeness [%]99.197.9
Redundancy4.32.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729820% PEG3350, 200mM potassium sulphate, 10mM pyridoxyl-5-phosphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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