1F1T
CRYSTAL STRUCTURE OF THE MALACHITE GREEN APTAMER COMPLEXED WITH TETRAMETHYL-ROSAMINE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-08-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.92070, 0.92090, 0.90830, 1.0000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 55.297, 55.297, 143.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.000 - 2.800 |
| R-factor | 0.2609 |
| Rwork | 0.261 |
| R-free | 0.28220 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.960 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.800 |
| Rmerge | 0.057 |
| Total number of observations | 128684 * |
| Number of reflections | 3188 |
| <I/σ(I)> | 40.59 |
| Completeness [%] | 99.7 |
| Redundancy | 40.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | CACODYLATE, MGCL2, SRCL2, KCL, SPERMINE, MPD, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CACODYLATE | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 1 | SRCL2 | ||
| 4 | 1 | 1 | KCL | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 1 | MPD | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 3.33 (%(v/v)) | |
| 2 | 1 | drop | Na-cacodylate | 13.2 (mM) | |
| 3 | 1 | drop | spermine | 0.165 (mM) | |
| 4 | 1 | drop | KCl | 23.16 (mM) | |
| 5 | 1 | drop | 39.6 (mM) | ||
| 6 | 1 | drop | 6.66 (mM) | ||
| 7 | 1 | drop | MGB RNA | 0.5 (mM) | |
| 8 | 1 | drop | TMR | 1 (mM) | |
| 9 | 1 | reservoir | MPD | 35 (%) |
