1JR0
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011
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 | 1999-12-11 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.098, 66.064, 78.565 |
| Unit cell angles | 90.00, 105.74, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.300 |
| R-factor | 0.1307 |
| R-free | 0.18340 |
| Starting model (for MR) | 3chb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.031 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.340 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.048 | 0.212 |
| Number of reflections | 110275 | |
| <I/σ(I)> | 23.1 | 2.9 |
| Completeness [%] | 89.0 | 40 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | PEG 3000, NaCl, MgCl2, Tris HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.0 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.4 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | 3 (mM) | ||
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | 50 (mM) | ||
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
| 8 | 1 | reservoir | PEG3000 | 30 (%) |
