7PSC
Crystal structure of the disease-causing I358T 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 | 2021-01-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 188.960, 61.250, 85.010 |
Unit cell angles | 90.00, 101.06, 90.00 |
Refinement procedure
Resolution | 49.118 - 2.436 |
R-factor | 0.2611 |
Rwork | 0.260 |
R-free | 0.28670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i4q |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP (11.7.03; 13.07.2020) |
Refinement software | PHENIX (1.14) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.118 | 49.118 | 2.580 |
High resolution limit [Å] | 2.436 | 7.240 | 2.440 |
Rmerge | 0.082 | 0.017 | 4.165 |
Rmeas | 0.089 | 0.019 | 4.494 |
Number of reflections | 35480 | 1402 | 5611 |
<I/σ(I)> | 13.3 | 75.73 | 0.5 |
Completeness [%] | 98.5 | 96 | 97.2 |
Redundancy | 6.786 | 6.162 | 6.986 |
CC(1/2) | 1.000 | 1.000 | 0.362 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 0.2 M magnesium chloride, 0.1 M BIS-TRIS (pH 6.7), 25 (v/v)% PEG 3350, 5 (v/v)% ethyl acetate |