6LN1
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-06 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 |
| Unit cell lengths | 133.467, 133.467, 92.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.974 - 2.699 |
| R-factor | 0.2172 |
| Rwork | 0.212 |
| R-free | 0.27690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ylk |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.699 | 2.700 |
| Rmerge | 0.095 | 1.196 |
| Rmeas | 0.100 | 1.256 |
| Rpim | 0.031 | 0.384 |
| Number of reflections | 25854 | 1304 |
| <I/σ(I)> | 22.3 | 1.52 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | |
| CC(1/2) | 0.998 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M Bis-Tris, 17% PEG 1500, 30% ethylene glycol |
