9C1R
Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-13 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.604, 62.248, 113.285 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.280 - 1.590 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.790 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.280 | 1.647 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmeas | 0.123 | 0.567 |
Rpim | 0.039 | 0.240 |
Number of reflections | 37674 | 1859 |
<I/σ(I)> | 11 | 2.2 |
Completeness [%] | 100.0 | |
Redundancy | 9.2 | 5.2 |
CC(1/2) | 0.998 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 22% PEG 3350 0.1M Bis-Tris pH6.5 |