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 (%) |