1JQY
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010
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 | P 1 21 1 |
| Unit cell lengths | 64.990, 166.006, 74.420 |
| Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.140 |
| R-factor | 0.2096 * |
| Rwork | 0.211 |
| R-free | 0.28790 * |
| RMSD bond length | 0.016 * |
| RMSD bond angle | 0.045 * |
| Data reduction software | TRUNCATE |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.000 | 2.220 |
| High resolution limit [Å] | 2.100 * | 2.140 |
| Rmerge | 0.050 | 0.205 |
| Number of reflections | 84223 | |
| <I/σ(I)> | 24 | 5.5 |
| Completeness [%] | 97.0 * | 83 * |
| Redundancy | 4.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | PEG 3000, NaCl, Tris HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.0 (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) | pH6.5 |
| 8 | 1 | reservoir | PEG3000 | 30 (%) |
