8EGF
Branched chain ketoacid dehydrogenase kinase in complex with inhibitor
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 | 2018-04-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 111.401, 111.401, 140.547 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.490 - 1.850 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e01 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.480 | 1.984 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.053 | 1.283 |
| Rpim | 0.013 | 0.538 |
| Number of reflections | 36703 | 1836 |
| <I/σ(I)> | 28 | |
| Completeness [%] | 82.5 | 74 |
| Redundancy | 18.8 | 11.1 |
| CC(1/2) | 1.000 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 25 mM ADP against a grid of 100 mM bis-tris pH 5.6-6.5, 1 M lithium sulfate, and 400-840 mM ammonium sulfate |
