3BHY
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline 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 | 2007-11-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.549, 90.680, 41.464 |
| Unit cell angles | 90.00, 100.45, 90.00 |
Refinement procedure
| Resolution | 45.360 - 1.240 |
| R-factor | 0.146 |
| Rwork | 0.143 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yrp |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.703 |
| 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 | 1.280 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.079 | 0.707 |
| Number of reflections | 68318 | |
| <I/σ(I)> | 14.7 | 2.04 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1M SPG (sucrose-phosphate-glutamate buffer) pH 6.0, 30% PEG 1000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
