2ZTW
Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 103.507, 103.507, 186.418 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.880 - 2.790 |
| R-factor | 0.19988 |
| Rwork | 0.197 |
| R-free | 0.24965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hex |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.653 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.800 | 2.900 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.121 | 0.495 |
| Number of reflections | 15425 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 99.3 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 4M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH7.2 |
