1TRD
THE INFLUENCE OF CRYSTAL PACKING ON CRYSTALLOGRAPHIC BINDING STUDIES: A NEW CRYSTAL FORM OF TRYPANOSOMAL TIM
Experimental procedure
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.620, 48.000, 131.310 |
| Unit cell angles | 90.00, 100.33, 90.00 |
Refinement procedure
| Resolution | ? - 2.500 |
| R-factor | 0.147 |
| Rwork | 0.147 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.500 * |
| Phasing software | X-PLOR |
| Refinement software | TNT |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.500 * |
| Rmerge | 0.057 * |
| Total number of observations | 26995 * |
| Number of reflections | 18801 * |
| Completeness [%] | 69.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.6 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | TIM | 5 (mg/ml) | |
| 10 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 11 | 1 | reservoir | EDTA | 1 (mM) | |
| 12 | 1 | reservoir | 1 (mM) | ||
| 2 | 1 | drop | Tris/Hcl | 25 (mM) | |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | ammonium | 50 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | dithiothreitol | 1 (mM) | |
| 7 | 1 | drop | 1 (mM) | ||
| 8 | 1 | reservoir | PEG6000 | 18 (%) | |
| 9 | 1 | reservoir | Tris/HCl | 200 (mM) |
