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3E76

Crystal structure of Wild-type GroEL with bound Thallium ions

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4A
Synchrotron siteNSLS
BeamlineX4A
Temperature [K]100
Detector technologyCCD
Collection date2008-04-09
DetectorADSC QUANTUM 4
Wavelength(s)0.97741
Spacegroup nameP 21 21 21
Unit cell lengths135.676, 260.954, 287.872
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.390 - 3.940
R-factor0.262
Rwork0.261
R-free0.29300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR): 1XCK
RMSD bond length0.007
RMSD bond angle0.919
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0004.080
High resolution limit [Å]3.9403.940
Rmerge0.1890.960
Number of reflections90513
<I/σ(I)>12.82.1
Completeness [%]98.088
Redundancy8.35.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8298pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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