4MQ2
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-03 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97929 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 264.097, 65.161, 138.426 |
| Unit cell angles | 90.00, 115.01, 90.00 |
Refinement procedure
| Resolution | 36.780 - 2.800 |
| R-factor | 0.19327 |
| Rwork | 0.190 |
| R-free | 0.25754 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.610 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.800 |
| Rmerge | 0.099 |
| Number of reflections | 53115 |
| <I/σ(I)> | 8.9 |
| Completeness [%] | 99.9 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 15% PEG 300, 0.1M LiSO4, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
