8FE5
Structure of J-PKAc chimera complexed with Aplithianine B
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 | 2021-07-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.594, 171.715, 62.204 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 43.590 - 2.510 |
R-factor | 0.1931 |
Rwork | 0.190 |
R-free | 0.24320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wb7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.000 |
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] | 43.590 | 2.600 |
High resolution limit [Å] | 2.510 | 2.510 |
Rmerge | 0.026 | 0.196 |
Number of reflections | 35478 | 3478 |
<I/σ(I)> | 14.75 | 3.47 |
Completeness [%] | 98.3 | 96.64 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.900 |
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, 25% PEG 3350 |