6L57
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with CIT , Mg and ATP binding at allosteric site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2010-02-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 104.211, 104.211, 145.547 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.057 - 2.302 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5grh |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.071 | 0.034 | 0.797 |
| Total number of observations | 898722 | ||
| Number of reflections | 41022 | 4320 | 4026 |
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 99.7 | 99.5 | 99.3 |
| Redundancy | 21.9 | 20.7 | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 299 | 0.2 M sodium citrate, pH 8.0, and 20% (w/v) PEG3350, 2 mM ATP |
