9KDS
The crystal structure of human AURKA kinase domain in complex with RA1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CAMD BEAMLINE GCPCC |
| Synchrotron site | CAMD |
| Beamline | GCPCC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-15 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 81.943, 81.943, 172.904 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.739 - 2.500 |
| R-factor | 0.217459731849 |
| Rwork | 0.213 |
| R-free | 0.25283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.981 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.740 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 12486 | 12486 |
| <I/σ(I)> | 13.34 | |
| Completeness [%] | 97.0 | |
| Redundancy | 31.7 | |
| CC(1/2) | 0.988 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M Sodium acetate, pH 4.5, 0.2 M Li2SO4,50% PEG 400 |
