1TOX
DIPHTHERIA TOXIN DIMER COMPLEXED WITH NAD
Experimental procedure
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-04-22 |
| Detector | RIGAKU |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.000, 89.500, 130.100 |
| Unit cell angles | 90.00, 94.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.30700 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 25.200 * |
| Data reduction software | R-AXIS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | |
| High resolution limit [Å] | 2.300 | 2.300 * |
| Rmerge | 0.077 | |
| Total number of observations | 157244 * | |
| Number of reflections | 48977 | |
| Completeness [%] | 93.3 | 87.4 * |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 22 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | dimeric DT | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | EDTA | 0.2 (mM) | |
| 4 | 1 | drop | PEG8000 | 11.2 (%) | |
| 5 | 1 | drop | 0.4 (M) | ||
| 6 | 1 | reservoir | Tris-HCl | 0.43 (M) | |
| 7 | 1 | reservoir | PEG8000 | 12.0 (%) | |
| 8 | 1 | reservoir | 0.43 (M) |
