9KS6
The crystal structure of AURKA in complex with K-CNBA-1
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) | 0.978 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 81.930, 81.930, 169.031 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.120 - 2.750 |
| R-factor | 0.232151662593 |
| Rwork | 0.228 |
| R-free | 0.26692 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.624 |
| 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] | 45.000 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 8936 | 1317 |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 95.4 | |
| Redundancy | 34.9 | |
| CC(1/2) | 0.997 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 0.1 M Sodium acetate (pH 5.0), 0.2 M lithium sulfate and 40% w/v PEG 400 |
