4AJ3
3D structure of E. coli Isocitrate Dehydrogenase in complex with Isocitrate, calcium(II) and NADP - The pseudo-Michaelis complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER AXS PT135 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.297, 105.297, 145.723 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.809 - 1.900 |
| R-factor | 0.1904 |
| Rwork | 0.189 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ai2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.088 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.540 |
| Number of reflections | 65181 | |
| <I/σ(I)> | 11.2 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.85 M NH4SO4, 50 MM CITRIC ACID/NA2HPO4 BUFFER PH 5.8, 0.1 M NACL AND 0.2 M DTT |
