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 |