3D0E
Crystal structure of human Akt2 in complex with GSK690693
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | Quantum 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 |
Unit cell lengths | 116.489, 116.489, 45.119 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.670 - 2.000 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.24600 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.269 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.670 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.102 | 0.045 | 0.615 |
Number of reflections | 46301 | ||
<I/σ(I)> | 7.9 | ||
Completeness [%] | 99.9 | 99.8 | 99.9 |
Redundancy | 4.2 | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 298 | 14% PEG 4K, 10% isopropanol, pH 8.0, vapor diffusion, temperature 298K |