1MLX
Crystal Structure Analysis of a 2'-O-[2-(Methylthio)-ethyl]-Modified Oligodeoxynucleotide Duplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 1999-12-17 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.728, 44.473, 46.229 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.200 * |
R-factor | 0.137 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 0.034 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 * | 1.290 |
High resolution limit [Å] | 1.200 * | 1.250 |
Rmerge | 0.141 * | 0.313 |
Number of reflections | 14054 * | |
Completeness [%] | 96.7 * | 93.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | sodium cacodylate, potassium chloride, spermine tetrahydrochloride, 2-methyl-2,4-pentanediol (MPD), pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium cacodylate | ||
2 | 1 | 1 | KCl | ||
3 | 1 | 1 | spermine tetrahydrochloride | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 2 | KCl | ||
6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | oligonucleotide | 2 (mM) | in water |
2 | 1 | drop | sodium cacodylate | 40 (mM) | pH7.0 |
3 | 1 | drop | 80 (mM) | ||
4 | 1 | drop | spermine tetrahydrochloride | 12 (mM) | |
5 | 1 | drop | MPD | 10 (%(v/v)) | |
6 | 1 | reservoir | 35 (%(v/v)) |