1HEX
STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH NAD+: LIGAND-INDUCED LOOP-CLOSING AND MECHANISM FOR COFACTOR SPECIFICITY
Experimental procedure
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 105.100, 105.100, 190.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.500 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.900 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.500 * |
| Rmerge | 0.078 * |
| Total number of observations | 177386 * |
| Number of reflections | 21745 |
| Completeness [%] | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium formate | 4 (M) | |
| 2 | 1 | drop | NAD+ | 60 (mM) | |
| 3 | 1 | drop | NaHepes | 20 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | EDTA | 0.5 (mM) | |
| 6 | 1 | reservoir | sodium formate | 3.0-3.5 (M) |
