9QQ1
KRAS-G12D(1-169) - GDP IN covalent COMPLEX with compound (3S,4R)-8
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8856040 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.242, 52.993, 89.772 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.010 - 1.300 |
| R-factor | 0.1972 |
| Rwork | 0.197 |
| R-free | 0.20750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1FGZF |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.180 | 1.270 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.101 | |
| Rpim | 0.700 | |
| Number of reflections | 51569 | 2578 |
| <I/σ(I)> | 10.1 | 1.4 |
| Completeness [%] | 92.7 | 50.2 |
| Redundancy | 10.1 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30 % PEG 1000 0.2 M NaH2PO4 |
