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5XO6

Crystal structure of a novel ZEN lactonase mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE TPS 05A
Synchrotron siteNSRRC
BeamlineTPS 05A
Temperature [K]100
Detector technologyCCD
Collection date2017-04-16
DetectorRAYONIX MX300-HS
Wavelength(s)0.9998
Spacegroup nameP 1
Unit cell lengths76.012, 96.887, 101.895
Unit cell angles88.96, 87.70, 87.96
Refinement procedure
Resolution24.810 - 2.380
R-factor0.167
Rwork0.166
R-free0.21600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3wzl
RMSD bond length0.016
RMSD bond angle1.756
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0103)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.460
High resolution limit [Å]2.3802.380
Rmerge0.0580.370
Number of reflections114582
<I/σ(I)>9.2
Completeness [%]98.596.9
Redundancy3.93.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52980.2M Ammonium Sulfate, 0.085M Sodium Cacodylate pH 6.5, 25-28%(w/v) Polyethylene Glycol 8000 and 15%(v/v) Glycerol

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