8R7X
Kras G12D in complex with compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2013-10-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.673, 71.919, 54.530 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 53.040 - 1.314 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.19150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS (Feb 5, 2021) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.043 | 1.393 |
| High resolution limit [Å] | 1.314 | 1.314 |
| Rmerge | 0.049 | 0.809 |
| Number of reflections | 64762 | 64754 |
| <I/σ(I)> | 11.6 | 1.5 |
| Completeness [%] | 84.9 | 26.4 |
| Redundancy | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 53.4 % (v/v) 2-methyl-2,4-pentanediol and 0.05 M MES pH 6.4 |
