8BLR
G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 78.076, 78.076, 56.197 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.260 - 1.400 |
| R-factor | 0.11857 |
| Rwork | 0.117 |
| R-free | 0.14426 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m9w |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.627 |
| Data reduction software | XDS (VERSION Jan 10, 2022 BUILT=20220220) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.220 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.071 | 1.632 |
| Rmeas | 0.073 | 1.675 |
| Rpim | 0.017 | 0.373 |
| Total number of observations | 772553 | 38292 |
| Number of reflections | 39296 | 1921 |
| <I/σ(I)> | 20.7 | 2.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 19.7 | 19.9 |
| CC(1/2) | 0.999 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.4M sodium malonate pH 7 |
