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8A0I

Crystal structure of poplar glutathione transferase U20 in complex with glutathionylphenylacetophenone

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSOLEIL BEAMLINE PROXIMA 2
Synchrotron siteSOLEIL
BeamlinePROXIMA 2
Temperature [K]100
Detector technologyPIXEL
Collection date2020-11-19
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.98012
Spacegroup nameP 41 21 2
Unit cell lengths56.620, 56.620, 181.790
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.450 - 1.624
R-factor0.2114
Rwork0.210
R-free0.23220
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)8a08
RMSD bond length0.008
RMSD bond angle0.860
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareBUSTER (2.10.4)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.5001.670
High resolution limit [Å]1.6241.624
Rmerge0.064
Number of reflections383782678
<I/σ(I)>28.62.1
Completeness [%]99.795.5
Redundancy25
CC(1/2)1.0000.780
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH8.5277200 mM calcium chloride, 100 mM Tris-HCl pH 8.5, 20 % w/v PEG 4000

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