7S6U
Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 156.368, 39.519, 62.608 |
Unit cell angles | 90.00, 100.53, 90.00 |
Refinement procedure
Resolution | 29.260 - 1.740 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e3p |
RMSD bond length | 0.015 |
RMSD bond angle | 1.924 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.260 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.067 | 1.051 |
Rmeas | 0.075 | 1.173 |
Rpim | 0.033 | 0.510 |
Number of reflections | 38529 | 2106 |
<I/σ(I)> | 11.4 | 1.7 |
Completeness [%] | 98.8 | 98.9 |
Redundancy | 4.9 | 4.9 |
CC(1/2) | 0.998 | 0.514 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% 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) |