8F5S
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 117.767, 117.767, 154.773 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 117.770 - 2.793 |
| R-factor | 0.2591 |
| Rwork | 0.257 |
| R-free | 0.29690 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.820 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.767 | 3.081 |
| High resolution limit [Å] | 2.793 | 2.793 |
| Rpim | 0.032 | 0.503 |
| Number of reflections | 17480 | 875 |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 86.0 | 73.5 |
| Redundancy | 12.8 | 12.5 |
| CC(1/2) | 0.999 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium sulfate and 17-22% PEG-3350 |
