6GJ8
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-27 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 41.604, 116.842, 91.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.030 - 1.650 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4epv |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.030 | 1.709 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 23024 | |
<I/σ(I)> | 31.9 | |
Completeness [%] | 85.9 | |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG3350, 0.2M ammonium sulfate and 0.1M bis-TRIS buffer at pH 6 |