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1GAJ

CRYSTAL STRUCTURE OF A NUCLEOTIDE-FREE ATP-BINDING CASSETTE FROM AN ABC TRANSPORTER

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12B
Synchrotron siteNSLS
BeamlineX12B
Temperature [K]130
Detector technologyCCD
Collection date2000-06-10
DetectorADSC QUANTUM 4
Wavelength(s)1.06884
Spacegroup nameP 4 3 2
Unit cell lengths137.520, 137.520, 137.520
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution100.000 - 2.500
R-factor0.205
Rwork0.205
R-free0.24300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011

*

RMSD bond angle1.660

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.610
High resolution limit [Å]2.5002.500
Rmerge0.0900.430
Number of reflections13129
<I/σ(I)>44.16
Completeness [%]82.369
Redundancy39.919
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.521

*

HEPES-Cl, (NH4)2SO4, PEG 400, T-butanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein15 (mg/ml)
21dropdithiothreitol2 (mM)
31reservoirammonium sulfate1.2 (M)
41reservoirt-butanol4 (%(v/v))
51reservoirPEG4001.8 (%(v/v))
61reservoirHEPES-Cl90 (mM)

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PDB entries from 2024-03-27

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