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6Y9K

Esterase EST8 with transacylase activity

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 date2019-03-15
DetectorDECTRIS PILATUS3 2M
Wavelength(s)0.9184
Spacegroup nameP 1 21 1
Unit cell lengths78.173, 78.180, 112.664
Unit cell angles90.00, 100.68, 90.00
Refinement procedure
Resolution49.500 - 2.298
Rwork0.205
R-free0.23890
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4xvc
RMSD bond length0.008
RMSD bond angle1.630
Data reduction softwareXDS (Jan 26, 2018)
Data scaling softwareXDS (Jan 26, 2018)
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.5002.430
High resolution limit [Å]2.2982.298
Number of reflections591269359
<I/σ(I)>7.81.4
Completeness [%]98.997.8
Redundancy77.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.629329% PEG 4000, 0.1 M ammonium sulphate, 0.1 M sodium citrate, pH 5.6

219869

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