8FE2
Structure of J-PKAc chimera complexed with Aplithianine A
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 | 2021-09-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.633, 171.782, 61.481 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 43.620 - 2.340 |
| R-factor | 0.1989 |
| Rwork | 0.196 |
| R-free | 0.25080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wb7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.959 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.620 | 2.426 |
| High resolution limit [Å] | 2.340 | 2.342 |
| Rmerge | 0.045 | 0.420 |
| Rpim | 0.028 | 0.260 |
| Number of reflections | 43344 | 4243 |
| <I/σ(I)> | 17.59 | 3.54 |
| Completeness [%] | 98.5 | 96.7 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.999 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 200 mM Lithium sulfate, 100 mM HEPES 7.5, 20% PEG 3350 |
