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7OLO

Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2019-04-07
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameC 2 2 21
Unit cell lengths73.980, 121.240, 67.320
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 2.000
R-factor0.1808
Rwork0.179
R-free0.20560
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5dap
RMSD bond length0.002
RMSD bond angle1.267
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.100
High resolution limit [Å]2.0002.000
Rmerge0.0640.653
Number of reflections203942753
<I/σ(I)>13.42.3
Completeness [%]97.9
Redundancy4.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.2293100 mM HEPES/NaOH, 1.25 M LiBr, 26% PEG 6000

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