9NFS
Structure of J-PKAc chimera in complex with Aplithianine j1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-14 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.605, 59.273, 90.817 |
| Unit cell angles | 89.87, 86.31, 89.77 |
Refinement procedure
| Resolution | 45.370 - 2.450 |
| R-factor | 0.2817 |
| Rwork | 0.279 |
| R-free | 0.33350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.114 |
| 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] | 45.370 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 60886 | 60886 |
| <I/σ(I)> | 5.66 | |
| Completeness [%] | 94.0 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.993 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277.15 | 0.2 M LiCl, 0.1 M hopes, pH 7.6, 25% PEG 3350 |
