4AOY
Open CtIDH. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.130, 106.840, 154.500 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.21093 |
| Rwork | 0.210 |
| R-free | 0.25844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.670 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.600 |
| Number of reflections | 75792 | |
| <I/σ(I)> | 10.2 | 2.1 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 310 | RESERVOIR SOLUTIONS OF 9-11% (W/V) POLYETHYLENE GLYCOL (PEG) PEG3350, AND 0.15 M AMMONIUM DIHYDROGEN CITRATE AT 37 DEG. C. PROTEIN AT 9.5 MG/ML |
