6WCK
KRAS G-quadruplex G16T mutant with Bromo Uracil replacing T8 and T16.
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 | CCD |
Collection date | 2018-08-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9199 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.452, 29.943, 52.691 |
Unit cell angles | 90.00, 94.62, 90.00 |
Refinement procedure
Resolution | 33.343 - 1.801 |
R-factor | 0.1988 |
Rwork | 0.197 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i2v |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.343 | 33.340 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.117 | 0.051 | 1.124 |
Rmeas | 0.126 | 0.056 | 1.248 |
Rpim | 0.047 | 0.022 | 0.531 |
Total number of observations | 557 | 2298 | |
Number of reflections | 9608 | 91 | 448 |
<I/σ(I)> | 10.9 | 37.4 | 1.3 |
Completeness [%] | 97.7 | 98 | 80.2 |
Redundancy | 7 | 6.1 | 5.1 |
CC(1/2) | 0.999 | 0.999 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 80 mM NaCl, 12 mM KCl, 20 mM MgCl.6H2O, 40 mM Na-cacodylate.3H2O pH 7.0, 35% v/v MPD, 12 mM spermine.4HCl |