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9LPB

Terpene cyclase AriE mutant-D128A

Replaces:  8ITQ
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-12-23
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97851
Spacegroup nameP 43 21 2
Unit cell lengths83.815, 83.815, 163.673
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.630 - 1.870
R-factor0.18
Rwork0.179
R-free0.20420
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.033
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.20.1_4487: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]74.6001.970
High resolution limit [Å]1.8701.870
Rmerge0.1000.954
Rmeas0.1020.982
Rpim0.0200.228
Total number of observations105235899076
Number of reflections436695591
<I/σ(I)>19.22.7
Completeness [%]88.3
Redundancy24.117.7
CC(1/2)0.9990.934
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP82911 M potassium sodium tartrate, 100 mM imidazole, and 200 mM sodium chloride

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