8R7W
Kras G12D in complex with compound 3
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 | 2013-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.900000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.720, 72.343, 54.514 |
| Unit cell angles | 90.00, 103.45, 90.00 |
Refinement procedure
| Resolution | 53.020 - 1.161 |
| R-factor | 0.1798 |
| Rwork | 0.179 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS (Feb 5, 2021) |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.018 | 1.287 |
| High resolution limit [Å] | 1.161 | 1.161 |
| Rmerge | 0.031 | 0.644 |
| Number of reflections | 71438 | 71438 |
| <I/σ(I)> | 15.4 | 1.7 |
| Completeness [%] | 93.1 | 70.8 |
| Redundancy | 3.4 | 3.5 |
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 |
