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5KDP

E491A mutant of choline TMA-lyase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2015-04-04
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9792
Spacegroup nameP 42 21 2
Unit cell lengths228.922, 228.922, 78.924
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.471 - 1.900
R-factor0.2153
Rwork0.214
R-free0.24440
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5faw
RMSD bond length0.003
RMSD bond angle0.616
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.776
Number of reflections164734
<I/σ(I)>18.44.06
Completeness [%]99.999.6
Redundancy13.511.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82921.0-1.2 M sodium malonate pH 7.0-8.0

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