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3U32

ATP synthase c10 ring reacted with DCCD at pH 5.5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2011-08-21
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.033
Spacegroup nameP 42 2 2
Unit cell lengths54.572, 54.572, 244.559
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.000
R-factor0.22565
Rwork0.224
R-free0.25400
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)3u2y
RMSD bond length0.012
RMSD bond angle1.213
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC (5.5.0109)
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.1120.634
Number of reflections25071
<I/σ(I)>12.62.7
Completeness [%]95.791.3
Redundancy3.92.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.129468% MPD, 8% propolyene glycol, 0.3M NaCl, 2mM MgSO4, 50 mM MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K

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