3BQR
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an imidazo-pyridazine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98248 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 83.533, 83.533, 113.693 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.750 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yrp |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.482 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.061 | 0.894 |
| Number of reflections | 39150 | |
| <I/σ(I)> | 15.1 | 2.22 |
| Completeness [%] | 94.8 | 98.9 |
| Redundancy | 8.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 25% 1,2-propanediol, 10% Glycerol, 0.1M Na/K phosphate pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
