3O1D
Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.108, 66.108, 264.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.884 - 2.401 |
| R-factor | 0.2118 |
| Rwork | 0.209 |
| R-free | 0.26710 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 13853 | |
| Completeness [%] | 96.2 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 50 mM BIS-TRIS pH6.5, 1.6 M lithium sulfate, 50 mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
