1PZI
Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a
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 | 2002-02-23 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.817, 78.683, 62.300 |
| Unit cell angles | 90.00, 116.20, 90.00 |
Refinement procedure
| Resolution | 27.950 - 1.990 |
| R-factor | 0.15778 |
| Rwork | 0.154 |
| R-free | 0.22100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1djr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.158 |
| Data reduction software | TRUNCATE |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.061 * | 0.145 * |
| Total number of observations | 124930 * | |
| Number of reflections | 34499 | |
| <I/σ(I)> | 19.28 | 7.07 |
| Completeness [%] | 95.3 | 84.1 |
| Redundancy | 3.45 | 2.27 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 32% PEG 5000, 100 mM Tris-HCl pH 7.8, 50 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG5000 | 32 (%) | |
| 2 | 1 | drop | Tris-HCl | 100 (mM) | pH7.8 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | protein | 5 (mg/ml) | |
| 5 | 1 | reservoir | glycerol | 10 (%) |
