8IE7
Crystal structure of DAPK1 in complex with pterostilbene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-23 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.600, 62.022, 88.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.066 - 1.849 |
R-factor | 0.1806 |
Rwork | 0.179 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.442 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.070 | 1.910 |
High resolution limit [Å] | 1.849 | 1.850 |
Rmeas | 0.079 | 0.628 |
Number of reflections | 22459 | 2179 |
<I/σ(I)> | 16.6 | 2.8 |
Completeness [%] | 99.8 | |
Redundancy | 7.4 | |
CC(1/2) | 0.999 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, ammonium sulfate, Bis-tris pH 6.5 |