4M1U
The crystal structure of Stx2 and a disaccharide ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-07-01 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 61 |
| Unit cell lengths | 146.250, 146.250, 60.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.560 |
| R-factor | 0.1714 |
| Rwork | 0.170 |
| R-free | 0.19193 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r4p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.989 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.650 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Number of reflections | 104677 | |
| <I/σ(I)> | 8.8 | 1.4 |
| Completeness [%] | 92.8 | 89.9 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 3.8 M sodium formate, 50 mM Tris pH 7.0, 2% ethylene glycol, and 1 mM PPS (3-(1-pyridino)-1-propanesulfonate) , VAPOR DIFFUSION, HANGING DROP, temperature 297K |
