9C15
Crystal structure of the KRAS-p110alpha complex with molecular glue D927
This is a non-PDB format compatible entry.
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 | 2019-06-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.300, 126.390, 112.940 |
| Unit cell angles | 90.00, 105.11, 90.00 |
Refinement procedure
| Resolution | 45.540 - 2.810 |
| R-factor | 0.2044 |
| Rwork | 0.203 |
| R-free | 0.23420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.540 | 2.990 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.093 | 0.771 |
| Rmeas | 0.111 | 0.925 |
| Number of reflections | 37819 | 5718 |
| <I/σ(I)> | 10.85 | 1.83 |
| Completeness [%] | 98.1 | 92.3 |
| Redundancy | 3.6 | 3.1 |
| CC(1/2) | 0.996 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Tris, 0.1 M NaCl, 15% PEG 20K |
