1JGR
Crystal Structure Analysis of the B-DNA Dodecamer CGCGAATTCGCG with Thallium Ions.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2000-05-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.944, 40.744, 66.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 * - 1.200 |
| R-factor | 0.163 |
| Rwork | 0.169 |
| R-free | 0.22200 |
| Starting model (for MR) | 1fqn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.030 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.280 |
| High resolution limit [Å] | 1.140 | 1.200 |
| Rmerge | 0.088 | 0.144 |
| Total number of observations | 290894 * | |
| Number of reflections | 21760 | |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 93.0 | 68 |
| Redundancy | 13.4 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 22 * | DNA, thallium acetate, magnesium acetate, MPD, spermine acetate, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 22 * | DNA, thallium acetate, magnesium acetate, MPD, spermine acetate, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | DNA | ||
| 2 | 1 | 1 | thallium acetate | ||
| 3 | 1 | 1 | magnesium acetate | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | spermine acetate |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | ammonium salt | 1.0 (mM) | |
| 2 | 1 | drop | thallium(I) acetate | 19 (mM) | |
| 3 | 1 | drop | 5.2 (mM) | ||
| 4 | 1 | drop | 3.8 (%) | ||
| 5 | 1 | drop | 8.9 (mM) | ||
| 6 | 1 | reservoir | MPD | 35 (%) |
