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6INB

Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-05-27
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9785
Spacegroup nameP 31 2 1
Unit cell lengths55.279, 55.279, 119.532
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution47.870 - 1.800
R-factor0.17497
Rwork0.173
R-free0.21914
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4bt2
RMSD bond length0.010
RMSD bond angle1.563
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.830
High resolution limit [Å]1.8001.800
Rpim0.0210.090
Number of reflections20250999
<I/σ(I)>27.89.5
Completeness [%]100.0100
Redundancy1915
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29320% (w/v) PEG-3000, 0.1M citrate, pH 5.5 and 12% w/v Polyethylene glycol 3,350, 0.1M sodium malonate, pH 6.0

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