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7AC0

Epoxide hydrolase CorEH without ligand

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.2
Synchrotron siteBESSY
Beamline14.2
Temperature [K]100
Detector technologyPIXEL
Collection date2020-03-20
DetectorDECTRIS PILATUS 2M
Wavelength(s)0.918400
Spacegroup nameP 21 21 2
Unit cell lengths140.016, 156.570, 112.581
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.394 - 2.177
Rwork0.173
R-free0.22620
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3qyj
RMSD bond length0.012
RMSD bond angle1.759
Data reduction softwareXDS (VERSION Mar 15, 2019)
Data scaling softwareXDS (VERSION Mar 15, 2019)
Phasing softwarePHASER (Version: 2.8.3)
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.310
High resolution limit [Å]2.1772.177
Rmeas0.2201.535
Number of reflections12946220548
<I/σ(I)>9.11.3
Completeness [%]99.798.9
Redundancy6.76.4
CC(1/2)0.9940.547
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52932 uL reservoir (16% PEG4000, 0.1 M Tris pH 9.5, 0.1 M NaOAc, 0.018 M imidazol pH 7.0) + 2 uL protein solution (10 mg/ml protein, 10 mM Tris pH 7.5, 20 mM NaCl) + 0.66 uL extra (1 M imidazol pH 6.5)

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