5I95
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.178, 154.875, 93.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.830 - 1.540 |
| R-factor | 0.1438 |
| Rwork | 0.142 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ja8 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.431 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.830 | 50.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 3.320 | 1.540 |
| Rmerge | 0.078 | 0.037 | 0.534 |
| Total number of observations | 350607 | ||
| Number of reflections | 72657 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 99.5 | 98.4 | 98.3 |
| Redundancy | 4.8 | 4.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 200 mM magnesium acetate, 100 mM sodium cacodylate, pH 6.5, 20% PEG8000 |
