9DC6
Structure of J-PKAc chimera in complex with Aplithianine e1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.758, 124.934, 129.302 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.730 - 2.700 |
| R-factor | 0.2374 |
| Rwork | 0.232 |
| R-free | 0.31140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.730 | 2.860 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 52108 | 4371 |
| <I/σ(I)> | 14.17 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.999 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 200 mM Lithium sulfate, 100 mM Hepes pH 7.5, 20 % PEG 3350 |
