1EEF
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-20 |
| Detector | MACSCIENCE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.540, 65.020, 101.930 |
| Unit cell angles | 90.00, 115.47, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.800 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED LTB B-PENTAMER STRUCTURE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 23.700 * |
| 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] | 22.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.820 |
| Rmerge | 0.051 | 0.115 |
| Number of reflections | 97336 | |
| <I/σ(I)> | 28.4 | |
| Completeness [%] | 94.0 | 99 * |
| Redundancy | 4.35 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.5 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | |
| 3 | 1 | drop | PEPG | 0.001ml | |
| 4 | 1 | reservoir | cacodylate | 100 (mM) | |
| 5 | 1 | reservoir | 200 (mM) | ||
| 6 | 1 | reservoir | 2-propanol | 35 (%) |
