6EIQ
DYRK1A in complex with XMD14-124
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.984003 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.560, 87.600, 229.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.100 - 2.300 |
| R-factor | 0.21986 |
| Rwork | 0.218 |
| R-free | 0.25245 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nct |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.297 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 1.206 | |
| Number of reflections | 77090 | 48049 |
| <I/σ(I)> | 9.45 | 0.99 |
| Completeness [%] | 97.1 | 97.5 |
| Redundancy | 3.8 | |
| CC(1/2) | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M KSCN; 0.1M NaCl; 12% PEG 3350, pH 6.8 |
