2Y41
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with IPM and MN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 50.240, 146.330, 175.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.200 - 2.200 |
| R-factor | 0.18682 |
| Rwork | 0.186 |
| R-free | 0.22444 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y3x |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.716 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.550 |
| Number of reflections | 33360 | |
| <I/σ(I)> | 24 | 4.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.9 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 10% PEG-4000, 10% 2-PROPANOL, 0.1 M HEPES PH 7.5 |
