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3OO2

2.37 Angstrom resolution crystal structure of an alanine racemase (alr) from Staphylococcus aureus subsp. aureus COL

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2010-08-07
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97872
Spacegroup nameP 21 21 21
Unit cell lengths47.735, 118.310, 129.008
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.590 - 2.370
R-factor0.20259
Rwork0.200
R-free0.25683
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Balbes model
RMSD bond length0.014
RMSD bond angle1.567
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareBALBES
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.410
High resolution limit [Å]2.3702.370
Rmerge0.0770.572
Number of reflections30323
<I/σ(I)>18.362.66
Completeness [%]99.6100
Redundancy4.94.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP52957.6 mg/mL protein in 10 mM Tris/HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystals grew from 0.1 M MIB buffer pH 5.0, 25 % (w/v) PEG1500 (The PACT suite condition #14), VAPOR DIFFUSION, SITTING DROP, temperature 295K

217705

數據於2024-03-27公開中

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