8EGD
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 | 2017-11-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 111.960, 111.960, 137.180 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 96.960 - 2.047 |
R-factor | 0.2405 |
Rwork | 0.239 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e01 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.870 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.960 | 2.190 |
High resolution limit [Å] | 2.047 | 2.047 |
Rmerge | 0.062 | |
Rpim | 0.015 | 0.459 |
Number of reflections | 24822 | 1241 |
<I/σ(I)> | 26.9 | 1.8 |
Completeness [%] | 85.2 | 52.1 |
Redundancy | 19.1 | 21.2 |
CC(1/2) | 1.000 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100 mM sodium citrate pH 5.6, 800 mM lithium sulfate, and 750 mM ammonium sulfate |