8JG8
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-04-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.770, 82.770, 172.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.094 - 2.900 |
| R-factor | 0.240302905732 |
| Rwork | 0.239 |
| R-free | 0.26960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.759 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 8299 | 8299 |
| <I/σ(I)> | 15.84 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.847 | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5, 25% w/v PEG 3350 |
