6OB3
Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.677, 97.169, 155.525 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.763 - 2.100 |
R-factor | 0.1869 |
Rwork | 0.186 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ob2 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 97.169 | 97.169 | 2.230 |
High resolution limit [Å] | 2.100 | 6.280 | 2.100 |
Rmerge | 0.052 | 0.019 | 0.679 |
Rmeas | 0.059 | 0.021 | 0.762 |
Total number of observations | 350416 | ||
Number of reflections | 72838 | 2927 | 11552 |
<I/σ(I)> | 17.26 | 56.23 | 2.68 |
Completeness [%] | 99.6 | 99.2 | 98.9 |
Redundancy | 4.811 | 4.439 | 4.885 |
CC(1/2) | 0.999 | 1.000 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M MES pH 6.0 and 25% Pentaerythritol propoxylate (5/4 PO/OH) |