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5IE5

Crystal structure of a lactonase double mutant in complex with substrate a

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2015-09-24
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameP 61 2 2
Unit cell lengths86.164, 86.164, 471.862
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution25.000 - 2.390
R-factor0.217
Rwork0.214
R-free0.26977
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3XZL
RMSD bond length0.010
RMSD bond angle1.525
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]25.00025.0002.460
High resolution limit [Å]2.3805.1102.380
Rmerge0.0590.0370.280
Rmeas0.064
Rpim0.023
Total number of observations296475
Number of reflections42998
<I/σ(I)>11.3
Completeness [%]99.197.993.2
Redundancy6.96.36.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.529824% PEG 2000 MME, 0.1M Bis-Tris

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