6A1G
Crystal structure of human DYRK1A in complex with compound 32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.841, 69.365, 89.150 |
| Unit cell angles | 90.00, 108.81, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.22699 |
| Rwork | 0.225 |
| R-free | 0.27232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.413 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.084 | 0.416 |
| Number of reflections | 42803 | 2111 |
| <I/σ(I)> | 8.86 | 2.01 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% w/v Polyethylene glycol monomethyl ether 2000 |
