6ZL5
CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-03 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.541800 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.802, 83.802, 87.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.490 - 1.645 |
R-factor | 0.1967 |
Rwork | 0.196 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gj8 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.840 |
Data reduction software | autoPROC |
Data scaling software | autoPROC (1.1.7) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.490 | 1.771 |
High resolution limit [Å] | 1.765 | 1.765 |
Rmerge | 0.153 | 1.158 |
Number of reflections | 28821 | 945 |
<I/σ(I)> | 22.2 | 2 |
Completeness [%] | 92.3 | 60.7 |
Redundancy | 17 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 278 | 2M Ammonium sulfate 100mM Sodium cacodylate 200mM Sodium cloride |