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3H83

2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor'

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2009-04-03
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameP 1 21 1
Unit cell lengths54.236, 80.549, 120.536
Unit cell angles90.00, 101.23, 90.00
Refinement procedure
Resolution30.000 - 2.060
R-factor0.1704
Rwork0.168
R-free0.20753
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1yfz
RMSD bond length0.018
RMSD bond angle1.767
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareBALBES
Refinement softwareREFMAC (5.5.0051)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.100
High resolution limit [Å]2.0602.060
Rmerge0.0900.255
Number of reflections61007
<I/σ(I)>11.854.4
Completeness [%]97.099.9
Redundancy3.43
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP295The Classic II Suite, condition B6, mixed with 1:1 v/v with protein sample (7.4 mg/mL, 0.25 M NaCl, 5 mM BME, 10 mM Tris/HCl pH 8.3), VAPOR DIFFUSION, SITTING DROP, temperature 295K

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