6S9X
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91955 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.460, 71.330, 91.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.528 - 2.600 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hhg |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.780 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.049 | 1.508 |
Rmeas | 0.051 | 1.566 |
Number of reflections | 14741 | 1558 |
<I/σ(I)> | 30.05 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13 | 13.8 |
CC(1/2) | 1.000 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.25 mM Na-acetate, 3.75 mM Na-citrate, 15% v/v PEG 2000 MME, pH 7.5, 3 mg/mL Akt1 (in 25 mM TRIS, 100 mM NaCl, 10% v/v Glycerol, 5 mM DTT, pH 7.5), 1 uL reservoir + 1 uL protein solution |