9FT2
Crystal structure of human DYRK1A in complex with ARN25699
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 42 |
| Unit cell lengths | 94.068, 94.068, 49.085 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.030 - 2.900 |
| R-factor | 0.2125 |
| Rwork | 0.211 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.403 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.080 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rpim | 0.052 | 0.350 |
| Number of reflections | 9707 | 1537 |
| <I/σ(I)> | 16.2 | 3.2 |
| Completeness [%] | 99.8 | |
| Redundancy | 14.3 | |
| CC(1/2) | 0.998 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 293 | 15-20% PEG1000, 50 mM Mes 6.4, 100 mM KCl |
