8F5J
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 | 2019-01-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 132.270, 132.270, 121.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 114.550 - 2.545 |
| R-factor | 0.2327 |
| Rwork | 0.231 |
| R-free | 0.26970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e01 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 114.549 | 2.697 |
| High resolution limit [Å] | 2.549 | 2.549 |
| Rpim | 0.037 | 0.660 |
| Number of reflections | 18174 | 910 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 90.4 | |
| Redundancy | 18 | |
| CC(1/2) | 0.999 | 0.459 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium sulfate and 17-22% PEG-3350 |
