8QVU
Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-04-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99996 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.253, 120.900, 81.016 |
| Unit cell angles | 90.00, 111.67, 90.00 |
Refinement procedure
| Resolution | 55.860 - 2.240 |
| R-factor | 0.2502 |
| Rwork | 0.248 |
| R-free | 0.28660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.199 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.289 | 2.300 |
| High resolution limit [Å] | 2.240 | 2.242 |
| Rmerge | 0.142 | 1.315 |
| Rmeas | 0.153 | |
| Rpim | 0.057 | 0.525 |
| Number of reflections | 36523 | 1826 |
| <I/σ(I)> | 8 | 1.6 |
| Completeness [%] | 90.6 | 60.6 |
| Redundancy | 7.1 | 7.2 |
| CC(1/2) | 0.997 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% w/v PEG 8000, 0.2 M lithium chloride, 0.1 M Tris pH 8.0 |
