8F4Q
rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors
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 | 2018-10-17 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 111.670, 111.670, 139.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.660 - 2.151 |
R-factor | 0.2355 |
Rwork | 0.234 |
R-free | 0.27050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e00 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.850 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.700 | 2.305 |
High resolution limit [Å] | 2.150 | 2.154 |
Rpim | 0.017 | 0.611 |
Number of reflections | 22708 | 1136 |
<I/σ(I)> | 22.6 | |
Completeness [%] | 88.0 | |
Redundancy | 18.6 | |
CC(1/2) | 1.000 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 5.4, 0.2 M magnesium chloride, and 10% PEG-3350 |