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5Z16

A novel dimeric isocitrate dehydrogenase from Acinetobacter baumannii

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U1
Synchrotron siteSSRF
BeamlineBL17U1
Temperature [K]80
Detector technologyCCD
Collection date2015-11-05
DetectorADSC QUANTUM 315r
Wavelength(s)1
Spacegroup nameP 42 2 2
Unit cell lengths137.161, 137.161, 238.132
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.537 - 3.000
R-factor0.2082
Rwork0.205
R-free0.27580
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3mbc
RMSD bond length0.011
RMSD bond angle1.608
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0008.130
High resolution limit [Å]3.0003.000
Rmerge0.1320.402
Number of reflections464232297
<I/σ(I)>3.2
Completeness [%]99.4
Redundancy3.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52950.1M HEPES, 10% PEG 4000, 14% 2-propanol, 40mM MgCl2, 20% glycerol

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