1S9B
Crystal Structure Analysis of the B-DNA GAATTCG
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Detector technology | CCD |
| Collection date | 2002-09-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00000 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 70.867, 70.867, 70.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.400 - 2.810 |
| R-factor | 0.281 |
| Rwork | 0.281 |
| R-free | 0.26428 |
| Structure solution method | MAD |
| Starting model (for MR) | ideal B-DNA |
| RMSD bond length | 0.019 |
| RMSD bond angle | 3.124 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 22.400 |
| High resolution limit [Å] | 2.810 |
| Number of reflections | 1491 |
| Completeness [%] | 97.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MPD, Nickel Chloride, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MPD, Nickel Chloride, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | Nickel Chloride | ||
| 3 | 1 | 1 | cacodylate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | Nickel Chloride | ||
| 7 | 1 | 2 | H2O |
