9INX
Crystal structure of DAPK1 in complex with compound 10
This is a non-PDB format compatible entry.
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 | 2024-02-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.603, 62.266, 88.397 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.200 - 1.720 |
R-factor | 0.1826 |
Rwork | 0.181 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.600 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmeas | 0.058 | 0.982 |
Rpim | 0.021 | 0.346 |
Number of reflections | 27900 | 1426 |
<I/σ(I)> | 21.6 | 2.2 |
Completeness [%] | 99.6 | 99.2 |
Redundancy | 7.4 | 7.8 |
CC(1/2) | 1.000 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 400, ammonium sulfate, MES pH 6.5 |