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7Z6P

Diels-Alderase AbyU mutant - Y76F

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2019-01-29
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.9795
Spacegroup nameP 1
Unit cell lengths49.710, 53.820, 60.480
Unit cell angles90.11, 96.98, 94.66
Refinement procedure
Resolution40.577 - 1.560
Rwork0.176
R-free0.20900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5dyv
RMSD bond length0.012
RMSD bond angle1.666
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.58040.540
High resolution limit [Å]1.5601.560
Rmeas0.0330.047
Number of reflections8430784307
<I/σ(I)>11.311.3
Completeness [%]95.5
Redundancy3.5
CC(1/2)1.000
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293.150.25 M Magnesium Chloride 0.1M HEPES 10% PEG 6K

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