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 |