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6BZ0

1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Acinetobacter baumannii in Complex with FAD.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2017-10-17
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97872
Spacegroup nameP 1
Unit cell lengths57.965, 82.769, 96.262
Unit cell angles80.38, 80.21, 89.49
Refinement procedure
Resolution29.630 - 1.830
R-factor0.18125
Rwork0.179
R-free0.22202
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5u8u
RMSD bond length0.008
RMSD bond angle1.395
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMoRDa
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.860
High resolution limit [Å]1.8301.830
Rmerge0.0800.803
Rmeas0.0930.928
Rpim0.0470.466
Number of reflections1504037400
<I/σ(I)>15.22.1
Completeness [%]97.696.2
Redundancy3.94
CC(1/2)0.696
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.5293Protein: 22.6 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (G10), 0.2M Magnesium chloride, 0.1M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350.

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