7CCV
Crystal structure of death-associated protein kinase 1 in complex with piceatannol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.796, 61.731, 87.501 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.292 - 1.753 |
R-factor | 0.1745 |
Rwork | 0.173 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5aut |
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] | 41.300 | 1.820 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.051 | 0.525 |
Rpim | 0.023 | 0.292 |
Number of reflections | 24148 | 4668 |
<I/σ(I)> | 20.4 | 2.5 |
Completeness [%] | 92.5 | 60.8 |
Redundancy | 4.5 | 3 |
CC(1/2) | 0.999 | 0.781 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.0 M ammonium sulfate, 0.1 M Tris-HCl pH 7.0, 14.4 mg/mL DAPK1, 2 mM piceatannol |