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7S6U

Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-E
Synchrotron siteAPS
Beamline24-ID-E
Temperature [K]100
Detector technologyPIXEL
Collection date2020-10-22
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.979180
Spacegroup nameC 1 2 1
Unit cell lengths156.368, 39.519, 62.608
Unit cell angles90.00, 100.53, 90.00
Refinement procedure
Resolution29.260 - 1.740
R-factor0.1746
Rwork0.173
R-free0.20010
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3e3p
RMSD bond length0.015
RMSD bond angle1.924
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.2601.770
High resolution limit [Å]1.7401.740
Rmerge0.0671.051
Rmeas0.0751.173
Rpim0.0330.510
Number of reflections385292106
<I/σ(I)>11.41.7
Completeness [%]98.898.9
Redundancy4.94.9
CC(1/2)0.9980.514
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP629320% PEG 3350, 0.2 M Sodium bromide, 10% Ethylene glycol, 0.1 M SSB (0.04 M Sodium propionate, 0.02 M Sodium cacodylate trihydrate and 0.04 M Bis-Tris propane)

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