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 (%) |