9TFE
KIT kinase domain in complex with an aminopyrimidine-based compound (15)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-04 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.280, 58.920, 193.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 1.700 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.778 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.300 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 75350 | 11704 |
| <I/σ(I)> | 13.81 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.5 | |
| CC(1/2) | 0.999 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 285.15 | 16% PEG3350, 125 mM tri-lithium citrate, 100 mM Tris pH 9.0; 285.15 K |
