5J5Z
Crystal structure of the D444V disease-causing 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 | 2015-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.035, 168.939, 61.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.380 - 1.840 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmd |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.427 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 105160 | |
| <I/σ(I)> | 10.78 | 0.87 |
| Completeness [%] | 98.1 | 97.4 |
| Redundancy | 4.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 293.15 | reservoir solution: 1.6 M NaH2PO4/K2HPO4 buffer, pH 8.1 (K2HPO4 was titrated with NaH2PO4 to pH 8.1) |
