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3E12

Cu2+ substituted Aquifex aeolicus KDO8PS in complex with KDO8P

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2007-12-21
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.0
Spacegroup nameP 31 2 1
Unit cell lengths84.747, 84.747, 160.309
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution22.300 - 1.700
R-factor0.16804
Rwork0.167
R-free0.19559
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1fww
RMSD bond length0.014
RMSD bond angle1.524
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC (5.4)
Data quality characteristics
 Overall
Low resolution limit [Å]22.300
High resolution limit [Å]1.700
Rmerge0.106
Number of reflections73254
<I/σ(I)>23.6
Completeness [%]98.9
Redundancy21.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.9277PEG 4000, NA ACETATE, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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