7ROV
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.793, 71.764, 65.481 |
| Unit cell angles | 90.00, 100.29, 90.00 |
Refinement procedure
| Resolution | 47.940 - 1.320 |
| R-factor | 0.1948 |
| Rwork | 0.194 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xco |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.000 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 1.356 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Number of reflections | 74611 | 3731 |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 96.2 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.996 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 100mM Bis-Tris and 25% PEG 4000 |
