7ACF
CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 67.664, 67.664, 312.136 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 1.910 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6quu |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.914 |
High resolution limit [Å] | 1.900 | 1.907 |
Rmerge | 0.083 | |
Rmeas | 0.090 | |
Number of reflections | 64227 | 4695 |
<I/σ(I)> | 17.5 | |
Completeness [%] | 100.0 | |
Redundancy | 10.2 | |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 278 | Morpheus Screen E9 |