6I4T
Crystal structure of the disease-causing I445M 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 | 118.915, 169.004, 60.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.596 - 1.823 |
R-factor | 0.1913 |
Rwork | 0.191 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zmd |
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] | 45.596 | 45.596 | 1.930 |
High resolution limit [Å] | 1.820 | 5.440 | 1.820 |
Rmerge | 0.094 | 0.040 | 1.182 |
Rmeas | 0.102 | 0.043 | 1.281 |
Number of reflections | 108394 | 4428 | 16652 |
<I/σ(I)> | 11.05 | 35.59 | 1.39 |
Completeness [%] | 98.5 | 99.3 | 94.5 |
Redundancy | 6.607 | 6.249 | 6.639 |
CC(1/2) | 0.999 | 0.999 | 0.840 |
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) |