1PZK
Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h
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 | 2002-08-17 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.048, 66.137, 78.185 |
| Unit cell angles | 90.00, 105.78, 90.00 |
Refinement procedure
| Resolution | 33.520 - 1.350 |
| R-factor | 0.13389 |
| Rwork | 0.132 |
| R-free | 0.17300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.626 |
| 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 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.054 * | 0.402 * |
| Total number of observations | 342770 * | |
| Number of reflections | 104310 | |
| <I/σ(I)> | 22.1 | 1.86 |
| Completeness [%] | 95.5 | 68.4 |
| Redundancy | 3.14 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 298 | 36% PEG 550 MME, 50 mM NaCl, 100 mM Tris pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG550 MME | 36 (%) | |
| 2 | 1 | reservoir | 50 (mM) | ||
| 3 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.3 |
| 4 | 1 | drop | protein | 5 (mg/ml) |
