8UVY
Structure of AKT1(E17K) with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 2.0.1 |
Synchrotron site | ALS |
Beamline | 2.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0387 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 75.836, 87.378, 197.425 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.540 - 2.110 |
R-factor | 0.2089 |
Rwork | 0.206 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.540 | 2.285 |
High resolution limit [Å] | 2.110 | 2.110 |
Number of reflections | 38143 | 3754 |
<I/σ(I)> | 8.13 | |
Completeness [%] | 99.9 | 99.92 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.272 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 29% PEG3350, 200 mM Li2SO4, 100 mM BisTris Propane pH 8.5, 10% ethylene glycol |