7EWA
GDP-bound KRAS G12D in complex with TH-Z827
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-05-02 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.691, 102.793, 56.395 |
| Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
| Resolution | 33.700 - 2.250 |
| R-factor | 0.2076 |
| Rwork | 0.203 |
| R-free | 0.25840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4epr |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.084 | 0.398 |
| Number of reflections | 47529 | 946 |
| <I/σ(I)> | 12.63 | 3.33 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.07 | 6.72 |
| CC(1/2) | 1.000 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 297 | 0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350 |
