5A6N
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.726, 87.775, 91.301 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.18416 |
| Rwork | 0.183 |
| R-free | 0.21335 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bhy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.512 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.710 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 71490 | |
| <I/σ(I)> | 15.3 | 3.6 |
| Completeness [%] | 99.5 | 98.4 |
| Redundancy | 4.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 23% PROPANEDIOL, 0.1M NA/K PHOSPHATE PH 6.2, 10% GLYCEROL |
