6ZL5
CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-03 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.541800 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.802, 83.802, 87.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.490 - 1.645 |
| R-factor | 0.1967 |
| Rwork | 0.196 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gj8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.840 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.490 | 1.771 |
| High resolution limit [Å] | 1.765 | 1.765 |
| Rmerge | 0.153 | 1.158 |
| Number of reflections | 28821 | 945 |
| <I/σ(I)> | 22.2 | 2 |
| Completeness [%] | 92.3 | 60.7 |
| Redundancy | 17 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 278 | 2M Ammonium sulfate 100mM Sodium cacodylate 200mM Sodium cloride |
