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4KEP

Crystal structure of 4-pyridoxolactonase, wild-type

Replaces:  3AJ0
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL38B1
Synchrotron siteSPring-8
BeamlineBL38B1
Temperature [K]100
Detector technologyCCD
Collection date2010-11-23
DetectorADSC QUANTUM 315
Wavelength(s)1.000
Spacegroup nameC 1 2 1
Unit cell lengths84.751, 39.198, 84.200
Unit cell angles90.00, 117.68, 90.00
Refinement procedure
Resolution36.144 - 1.830
R-factor0.1763
Rwork0.174
R-free0.20880
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3aj3
RMSD bond length0.007
RMSD bond angle1.122
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwarePHENIX ((phenix.refine: 1.8_1069))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.860
High resolution limit [Å]1.8301.830
Rmerge0.0530.405
Number of reflections21861
<I/σ(I)>19.75.65
Completeness [%]99.899.7
Redundancy6.16
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP727730% PEG4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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