6N65
KRAS G-quadruplex G16T mutant.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.693, 30.127, 52.970 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 29.409 - 1.600 |
| R-factor | 0.2115 |
| Rwork | 0.210 |
| R-free | 0.24070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i2v |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.130 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | 0.310 |
| Rmeas | 0.059 | 0.349 |
| Rpim | 0.024 | 0.156 |
| Total number of observations | 86330 | |
| Number of reflections | 13756 | 501 |
| <I/σ(I)> | 16 | |
| Completeness [%] | 96.5 | 74.2 |
| Redundancy | 6.3 | 4.7 |
| CC(1/2) | 0.999 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.08 M sodium chloride, 0.012 M potassium chloride, 0.02 magnesium chloride hexahydrate, 0.04 M sodium cacodylate trihydrate pH 7.0, 35% MPD, 0.012 M spermine tetrahydrochloride. |
