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1T5H

4-Chlorobenzoyl-CoA Ligase/Synthetase unliganded, selenomethionine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12C
Synchrotron siteNSLS
BeamlineX12C
Temperature [K]113
Detector technologyCCD
Collection date2003-07-14
DetectorBRANDEIS - B4
Wavelength(s)0.950038
Spacegroup nameP 32 2 1
Unit cell lengths124.979, 124.979, 69.001
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution25.000 - 2.002
R-factor0.18428
Rwork0.183
R-free0.20578
Structure solution methodMAD
RMSD bond length0.009
RMSD bond angle1.062
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSnB
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0850.516
Number of reflections41528
<I/σ(I)>9.1
Completeness [%]100.099.7
Redundancy5.65.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP92776-8% PEG 4000; 10% glycerol; 0.25 M CaCl2; 50 mM CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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