1G8Z
HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER
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 | 1999-12-12 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.362, 114.722, 45.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.179 * |
| Rwork | 0.179 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.030 |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (refmac_4.0.0 01/12/1999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.160 |
| Number of reflections | 36777 | |
| <I/σ(I)> | 37 | |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 6.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | PEG 5000, NaCl, Tris HCl, galactose, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 50 (mM) | ||
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | PEG5000 | 32 (%(w/v)) | |
| 4 | 1 | drop | protein | 3 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 100 (mM) | |
| 6 | 1 | drop | beta-D-galactopyranoside | 300 (mM) |
