1EEI
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-ALPHA-D-GALACTOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-10 |
| Detector | MACSCIENCE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.900, 69.550, 130.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.2001 |
| Rwork | 0.200 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMEN |
| Starting model (for MR) | 3chb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.276 |
| Number of reflections | 40887 | |
| <I/σ(I)> | 19.2 | 4.4 |
| Completeness [%] | 93.0 | 88 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 298 | SITTING DROP, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 10 (mM) | |
| 2 | 1 | drop | pepstatin | 2 (mM) | |
| 3 | 1 | drop | PMSF | 2 (mM) | |
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | m-nitrophenyl-alpha-D-galactopyranoside | 30 (mM) | |
| 7 | 1 | reservoir | sodium phosphate/citrate | 100 (mM) | |
| 8 | 1 | reservoir | 1,2-propanediol | 19 (%) |
