2GA4
Stx2 with adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.11588 |
| Spacegroup name | P 61 |
| Unit cell lengths | 144.550, 144.550, 59.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 200.000 - 1.800 |
| R-factor | 0.157 |
| Rwork | 0.156 |
| R-free | 0.18300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.330 |
| Number of reflections | 68743 | 3402 |
| <I/σ(I)> | 9.4 | 2.7 |
| Completeness [%] | 99.9 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 4 M sodium formate, 0.1 M 2-morpholinoethanesulfonic acid, 50 mM 3-(1-pyridino)-1-propanesulfonate, 3% ethylene glycol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
