8UW7
Structure of AKT1(WT) with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.116 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.305, 87.707, 198.499 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.570 - 1.972 |
R-factor | 0.2201 |
Rwork | 0.218 |
R-free | 0.26460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.071 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.570 | 2.042 |
High resolution limit [Å] | 1.972 | 1.972 |
Number of reflections | 47017 | 4345 |
<I/σ(I)> | 24.74 | |
Completeness [%] | 99.2 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.469 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 19% PEG3350, 200 mM Na2SO4, 100 mM BisTris Propane pH 7.2, 10% ethylene glycol |