8ECR
KRAS4b WT 1-185 bound to GDP-Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-03 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 |
| Unit cell lengths | 84.313, 84.313, 41.733 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.160 - 1.420 |
| R-factor | 0.1645 |
| Rwork | 0.147 |
| R-free | 0.16880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4obe |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.021 |
| Data reduction software | XDS |
| Data scaling software | XDS (0.5.32 (Aimless)) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.160 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.042 | 0.700 |
| Rmeas | 0.047 | 0.977 |
| Rpim | 0.021 | 0.680 |
| Number of reflections | 61036 | 2224 |
| <I/σ(I)> | 18.3 | 1 |
| Completeness [%] | 97.4 | 70.7 |
| Redundancy | 4.4 | 1.6 |
| CC(1/2) | 0.990 | 0.360 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 20% PEG8000, 200 mM Magnesium chloride, 100 mM Tris-HCl pH 8.5 |
