2Y42
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with NADH and Mn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.380, 161.450, 83.910 |
| Unit cell angles | 90.00, 91.96, 90.00 |
Refinement procedure
| Resolution | 19.720 - 2.500 |
| R-factor | 0.17951 |
| Rwork | 0.176 |
| R-free | 0.25422 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y3z |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.563 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.570 |
| Number of reflections | 51742 | |
| <I/σ(I)> | 10.8 | 2.1 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 15% PEG-20000, 2% DIOXANE, 0.1 M BICINE PH 9.0 |
