5AIK
Human DYRK1A in complex with LDN-211898
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-07-09 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.955, 90.891, 232.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 116.230 - 2.700 |
| R-factor | 0.22808 |
| Rwork | 0.227 |
| R-free | 0.25222 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.443 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.450 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.180 | 0.610 |
| Number of reflections | 52473 | |
| <I/σ(I)> | 7.4 | 2.3 |
| Completeness [%] | 98.6 | 95.9 |
| Redundancy | 6.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M NA/KPO4, 20% PEG 3350, 10% ETHYLENE GLYCOL, pH 7.5 |
