1LLR
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-11 |
| Detector | CUSTOM-MADE |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.391, 65.964, 78.146 |
| Unit cell angles | 90.00, 105.97, 90.00 |
Refinement procedure
| Resolution | 27.000 - 1.460 |
| R-factor | 0.14869 |
| Rwork | 0.149 |
| R-free | 0.19100 * |
| RMSD bond length | 0.019 * |
| RMSD bond angle | 0.039 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (4.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.081 | 0.475 |
| Number of reflections | 84902 | 7083 * |
| <I/σ(I)> | 12.6 | 2 |
| Completeness [%] | 97.0 * | 82 * |
| Redundancy | 4.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | PEG 300, NACL, MGCL2, TRIS HCL, pH 7.50, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5.0 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 100 (mM) | pH7.5 |
| 3 | 1 | drop | 7 | 0.17 (mM) | |
| 4 | 1 | reservoir | 50 (mM) | ||
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
| 6 | 1 | reservoir | PEG300 | 42 (%) |
