4AJC
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with alpha-ketoglutarate, calcium(II) and adenine nucleotide phosphate
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 | 103.715, 103.715, 149.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.302 - 2.300 |
| R-factor | 0.1769 |
| Rwork | 0.175 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ai2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.101 |
| 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] | 46.400 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.310 |
| Number of reflections | 36981 | |
| <I/σ(I)> | 24.8 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15.1 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.85M NH4SO4, 50 MM CITRIC ACID/NA2HPO4 BUFFER PH 5.2, 0.1 M NACL AND 0.2 M DTT |
