5USJ
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.423, 63.491, 81.991 |
| Unit cell angles | 91.51, 112.63, 115.44 |
Refinement procedure
| Resolution | 73.650 - 1.940 |
| R-factor | 0.17989 |
| Rwork | 0.177 |
| R-free | 0.23848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.656 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.650 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.058 | 0.337 |
| Number of reflections | 70797 | |
| <I/σ(I)> | 9.5 | 2 |
| Completeness [%] | 92.5 | 75.5 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5 |
