3MXG
Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-26 |
| Detector | MAR |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.908, 69.208, 103.013 |
| Unit cell angles | 90.00, 124.36, 90.00 |
Refinement procedure
| Resolution | 30.460 - 2.490 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.637 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.078 | 0.291 |
| Number of reflections | 24345 | |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 98.3 | 91.1 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 298 | 100mM HEPES, 200mM Magnesium Chloride, 25% PEG-3350, pH 7.1, temperature 298K, VAPOR DIFFUSION, HANGING DROP |
