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) |