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8QFU

Diels-Alderase AbyU mutant - Y76F

Replaces:  7Z6P
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]193
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
Rwork0.172
R-free0.20790
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.915
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.5801.590
High resolution limit [Å]1.5601.560
Rmeas0.033
Number of reflections8430784307
<I/σ(I)>11.3
Completeness [%]95.5
Redundancy3.5
CC(1/2)0.700
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2910.25 M Magnesium Chloride 0.1M HEPES 10% PEG 6K

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