4LDJ
Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.071, 40.724, 91.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.696 - 1.150 |
| R-factor | 0.1329 |
| Rwork | 0.132 |
| R-free | 0.16220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4epv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.674 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 3.120 | 1.150 |
| Rmerge | 0.075 | 0.063 | 0.317 |
| Number of reflections | 52661 | ||
| <I/σ(I)> | 9.6 | 30.07 | 2.48 |
| Completeness [%] | 99.6 | 99.2 | 94.8 |
| Redundancy | 7 | 7.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 28% PEG 3350, Vapor Diffusion, Hanging Drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP |
