3CHB
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 125 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-02 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.124, 66.176, 78.221 |
| Unit cell angles | 90.00, 106.33, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.250 |
| R-factor | 0.1326 |
| R-free | 0.18000 |
| Starting model (for MR) | 2chb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.031 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | SHELX-96 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.300 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.031 | 0.272 |
| Total number of observations | 858588 * | |
| Number of reflections | 126728 | |
| <I/σ(I)> | 11.9 | 2.4 |
| Completeness [%] | 92.0 | 84.4 * |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 4 * | SITTING DROP, pH 7.0, vapor diffusion - sitting drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | |
| 10 | 1 | reservoir | MES | 100 (mM) | |
| 2 | 1 | drop | PMSF | 0.001 (mM) | |
| 3 | 1 | drop | leupeptin | 0.001 (mM) | |
| 4 | 1 | drop | pepstain | 0.001 (mM) | |
| 5 | 1 | drop | EDTA | 0.001 (mM) | |
| 6 | 1 | drop | GM1 pentasaccharide | 0.01 (mM) | |
| 7 | 1 | reservoir | PEG8000 | 22 (%(w/v)) | |
| 8 | 1 | reservoir | mPEG350 | 10 (%(w/v)) | |
| 9 | 1 | reservoir | calcium acetate | 200 (mM) |
