1XKD
Ternary complex of Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.089 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 107.575, 107.575, 171.045 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.700 - 2.300 |
| R-factor | 0.22722 |
| Rwork | 0.226 |
| R-free | 0.24822 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xgv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.928 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.051 | 0.367 |
| Number of reflections | 45223 | |
| <I/σ(I)> | 25.42 | 5.53 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 6K, Magnesium chloride, sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
