6I4U
Crystal structure of the disease-causing G426E mutant of the human dihydrolipoamide dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 118.737, 168.663, 61.041 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.559 - 1.840 |
R-factor | 0.1841 |
Rwork | 0.184 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zmd |
RMSD bond length | 0.005 |
RMSD bond angle | 0.807 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.559 | 42.559 | 1.950 |
High resolution limit [Å] | 1.840 | 5.480 | 1.840 |
Rmerge | 0.098 | 0.027 | 1.307 |
Rmeas | 0.106 | 0.029 | 1.414 |
Number of reflections | 106853 | 4320 | 16793 |
<I/σ(I)> | 13.27 | 50.11 | 1.24 |
Completeness [%] | 99.2 | 98.7 | 97.5 |
Redundancy | 6.658 | 6.138 | 6.811 |
CC(1/2) | 0.999 | 1.000 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2 M ammonium sulfate, 2(v/v)% PEG 400, 0.1 M Hepes (pH 7.5) |