1DJR
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-16 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.368, 95.040, 67.507 |
| Unit cell angles | 90.00, 100.71, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.300 |
| R-factor | 0.137 |
| Rwork | 0.134 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lt5 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.040 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.046 | 0.465 |
| Total number of observations | 837038 * | |
| Number of reflections | 127782 | |
| <I/σ(I)> | 14.9 | 2.2 |
| Completeness [%] | 99.4 | 95.5 |
| Redundancy | 2.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | three-layer capillary method * | 7.5 | 298 | PEG 6000, NaCl, Tris-HCl, pH 7.5, LIQUID DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG6000 | 42 (%) | |
| 2 | 1 | 1 | Tris-HCl | 100 (mM) | |
| 3 | 1 | 2 | MCPG | 200 (mM) | |
| 4 | 1 | 2 | Tris-HCl | 100 (mM) | |
| 5 | 1 | 3 | protein | 3.6 (mg/ml) | |
| 6 | 1 | 3 | 200 (mM) | ||
| 7 | 1 | 3 | EDTA | 1 (mM) | |
| 8 | 1 | 3 | azide | 3 (mM) | |
| 9 | 1 | 3 | Tris-HCl | 50 (mM) |
