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7ZP6

Crystal structure of evolved photoenzyme EnT1.3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2022-01-28
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.9762
Spacegroup nameP 21 21 21
Unit cell lengths50.894, 75.596, 78.600
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution54.660 - 1.900
Rwork0.169
R-free0.21330
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3i1c
RMSD bond length0.005
RMSD bond angle0.897
Data reduction softwareDIALS
Data scaling softwareDIALS
Phasing softwarePHENIX (1.20.1_4487)
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.6601.968
High resolution limit [Å]1.9001.900
Rmerge0.873
Number of reflections245542405
<I/σ(I)>8.951.81
Completeness [%]100.099.92
Redundancy13.413.8
CC(1/2)0.9960.872
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.2 M Ammonium chloride, 0.1 M HEPES, pH = 7.0, 20% w/v PEG 6000

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