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6WUP

Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5

Replaces:  6OKI
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyPIXEL
Collection date2019-04-06
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.95373
Spacegroup nameP 65 2 2
Unit cell lengths70.955, 70.955, 175.390
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution35.690 - 1.490
R-factor0.1987
Rwork0.198
R-free0.22170
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6OKI
RMSD bond length0.007
RMSD bond angle0.897
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.8501.520
High resolution limit [Å]1.4901.490
Rmerge0.0833.900
Rpim0.019
Number of reflections436612105
<I/σ(I)>22.41.1
Completeness [%]100.0100
Redundancy35.330.3
CC(1/2)1.0000.501
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729120 % w/v PEG 6000, 0.2 M MgCl2, 0.1 M HEPES, pH 7.0

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