7EWB
GDP-bound KRAS G12D in complex with TH-Z835
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-04-27 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.559, 102.480, 56.126 |
| Unit cell angles | 90.00, 106.88, 90.00 |
Refinement procedure
| Resolution | 30.250 - 1.990 |
| R-factor | 0.1978 |
| Rwork | 0.195 |
| R-free | 0.24600 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.088 | 0.395 |
| Number of reflections | 67620 | 1505 |
| <I/σ(I)> | 10.01 | 2.05 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.07 | 3.5 |
| CC(1/2) | 1.000 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 297 | 0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350 |
