9QQ0
KRAS-G12D(1-169) - GDP IN covalent COMPLEX WITH compound (3R,4R)-3
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.367, 51.924, 90.419 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.210 - 1.546 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1NFQI |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.210 | 1.690 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.172 | 1.448 |
Number of reflections | 21979 | 1099 |
<I/σ(I)> | 5.9 | 1.5 |
Completeness [%] | 94.3 | 60.4 |
Redundancy | 9.8 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30 % PEG 1000, 0.2 M MgSO4 |