1ITW
Crystal structure of the monomeric isocitrate dehydrogenase in complex with isocitrate and Mn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 110.405, 119.023, 128.217 |
| Unit cell angles | 90.00, 99.01, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.950 |
| Rwork | 0.193 |
| R-free | 0.22800 |
| Structure solution method | MAD, Molecular Replacement method |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.230 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.083 | 0.388 |
| Total number of observations | 846014 * | |
| Number of reflections | 235314 | |
| <I/σ(I)> | 8.6 | 2 |
| Completeness [%] | 98.9 | 96.7 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 * | Yasutake, Y., (2001) Acta Crystallogr., Sect.D, 57, 1682. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES-NaOH | 0.1 (M) | pH7.0 |
| 2 | 1 | reservoir | PEG6000 | 24.0 (%(w/v)) | |
| 3 | 1 | reservoir | glycerol | 20.0 (%(v/v)) | |
| 4 | 1 | reservoir | 4.0 (mM) | ||
| 5 | 1 | reservoir | DL-isocitrate | 4.0 (mM) | |
| 6 | 1 | drop | protein | 8.0 (mg/ml) | |
| 7 | 1 | drop | HEPES-NaOH | 0.1 (M) | pH7.0 |
| 8 | 1 | drop | glycerol | 10.0 (%(v/v)) |
