1IHH
2.4 ANGSTROM CRYSTAL STRUCTURE OF AN OXALIPLATIN 1,2-D(GPG) INTRASTRAND CROSS-LINK IN A DNA DODECAMER DUPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-02-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.970 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 41.942, 51.246, 87.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.400 |
| R-factor | 0.209 * |
| Rwork | 0.209 |
| R-free | 0.25600 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.089 | 0.368 |
| Total number of observations | 61465 * | |
| Number of reflections | 6296 | |
| <I/σ(I)> | 18.9 | 4.5 |
| Completeness [%] | 93.7 | 69 |
| Redundancy | 9.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | MPD, SODIUM CACODYLATE, SPERMINE*4HCl, BACL2, ETHYL ACETATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | MPD, SODIUM CACODYLATE, SPERMINE*4HCl, BACL2, ETHYL ACETATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | SODIUM CACODYLATE | ||
| 3 | 1 | 1 | SPERMINE*4HCl | ||
| 4 | 1 | 1 | BaCl2 | ||
| 5 | 1 | 1 | ETHYL ACETATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.2 (mM) | |
| 2 | 1 | drop | MPD | 2.5 (%) | or 5% |
| 3 | 1 | drop | sodium cacodylate | 20 (mM) | |
| 4 | 1 | drop | spermine 4HCl | 6 (mM) | |
| 5 | 1 | drop | 10 (mM) | ||
| 6 | 1 | drop | ethyl acetate | 2.5 (%) | |
| 7 | 1 | reservoir | MPD | 20 (%) | or 30% |
| 8 | 1 | reservoir | ethyl acetate | 5 (%) |
