7CCU
Crystal structure of death-associated protein kinase 1 in complex with resveratrol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.888, 62.234, 88.248 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.552 - 1.649 |
R-factor | 0.1761 |
Rwork | 0.175 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5aux |
RMSD bond length | 0.006 |
RMSD bond angle | 0.863 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12-2829_1069: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.400 | 1.710 |
High resolution limit [Å] | 1.649 | 1.649 |
Rmeas | 0.049 | 0.578 |
Rpim | 0.019 | 0.215 |
Number of reflections | 30997 | 2999 |
<I/σ(I)> | 24.1 | 3.5 |
Completeness [%] | 97.3 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.881 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.4 M ammonium sulfate, 0.1 M Tris-HCl pH 8.0, 14.4 mg/mL DAPK1, 2 mM resveratrol |