6UIP
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97648 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 112.884, 112.884, 304.651 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.260 - 3.700 |
| R-factor | 0.2724 |
| Rwork | 0.271 |
| R-free | 0.29040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.641 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.260 | 3.830 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Rmeas | 0.122 | |
| Rpim | 0.048 | 0.580 |
| Number of reflections | 23849 | 2168 |
| <I/σ(I)> | 24.9 | 1.4 |
| Completeness [%] | 98.5 | 86.14 |
| Redundancy | 8.4 | 8.4 |
| CC(1/2) | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 15% PEG 20000, 3% Eextran Sulfate, 100 mM Bicine pH 8.5 |
