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3QM3

1.85 Angstrom Resolution Crystal Structure of Fructose-bisphosphate Aldolase (Fba) from Campylobacter jejuni

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2010-08-24
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97934
Spacegroup nameP 1
Unit cell lengths76.996, 101.971, 105.662
Unit cell angles113.27, 95.34, 95.75
Refinement procedure
Resolution29.660 - 1.850
R-factor0.15097
Rwork0.149
R-free0.19088
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dos
RMSD bond length0.012
RMSD bond angle1.322
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.880
High resolution limit [Å]1.8501.850
Rmerge0.0920.571
Number of reflections242214
<I/σ(I)>213.7
Completeness [%]97.796.4
Redundancy7.17
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5295Protein solution: 0.3M Sodium chloride, 10mM HEPES (pH 7.5) Screen solution: 0.2M NH4 Sulfate, 0.1M Na Cacodylate pH 7.5, 30%PEG 2K MME, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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