4TXC
Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor
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 | 2004-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.900, 77.290, 110.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.465 - 1.951 |
| R-factor | 0.1815 |
| Rwork | 0.180 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yak 3eh9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.016 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1682)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.465 | 2.000 |
| High resolution limit [Å] | 1.951 | 1.951 |
| Number of reflections | 31708 | |
| <I/σ(I)> | 11.7 | 2.7 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.2 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG6000, 10% ethylene glycol, 0.1M HEPES pH 7.0, 0.2M sodium chloride, 293K, using previously frozen protein |
