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3B5J

Crystal Structures of the S504A Mutant of an Isolated ABC-ATPase in Complex with TNP-ADP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineBW7B
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2007-10-11
DetectorMAR scanner 345 mm plate
Wavelength(s)0.8423
Spacegroup nameC 1 2 1
Unit cell lengths179.200, 34.600, 38.000
Unit cell angles90.00, 98.40, 90.00
Refinement procedure
Resolution17.980 - 2.000
R-factor0.209
Rwork0.204
R-free0.28000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ff7
RMSD bond length0.008
RMSD bond angle1.174
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]20.0002.200
High resolution limit [Å]2.00010.0002.000
Rmerge0.0760.0360.291
Number of reflections14635963599
<I/σ(I)>8.93223.5
Completeness [%]91.964.992.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP277VAPOR DIFFUSION, HANGING DROP, temperature 277K

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