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6K8H

Crystal structure of an omega-transaminase from Sphaerobacter thermophilus

Replaces:  5D95
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 5C (4A)
Synchrotron sitePAL/PLS
Beamline5C (4A)
Temperature [K]95
Detector technologyCCD
Collection date2014-11-12
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths82.064, 61.246, 185.389
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.849 - 1.900
R-factor0.1576
Rwork0.156
R-free0.19380
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4ao9
RMSD bond length0.007
RMSD bond angle0.943
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.14_3260: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.1140.621
Number of reflections632583017
<I/σ(I)>26.1
Completeness [%]85.2
Redundancy6.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.1 M sodium acetate (pH 4.8), 1.2 M K2HPO4, 0.9 M NaH2PO4, 40% 2,5-hexanediol

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