8AZY
KRAS-G12D in complex with BI-2865
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000004 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.158, 40.545, 55.943 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.760 - 1.090 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.19710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8afb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.112 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.762 | 1.206 |
| High resolution limit [Å] | 1.090 | 1.094 |
| Rmerge | 0.055 | 1.192 |
| Number of reflections | 57094 | 2856 |
| <I/σ(I)> | 17.7 | 1.8 |
| Completeness [%] | 94.9 | 75.8 |
| Redundancy | 12.2 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4 |
