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1XRL

Crystal structure of active site F1-mutant Y205F complex with inhibitor PCK

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]100
Detector technologyCCD
Collection date2003-03-03
DetectorMARRESEARCH
Wavelength(s)1.0500
Spacegroup nameP 21 21 21
Unit cell lengths57.330, 61.850, 80.770
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.400 - 1.820
R-factor0.241
Rwork0.241
R-free0.27900
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.100
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.4001.910
High resolution limit [Å]1.8201.820
Number of reflections24988
<I/σ(I)>15
Completeness [%]97.961.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6293PEG 6000, Bis-Tris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

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