1EHV
A NEW CRYSTAL STRUCTURE FOR THE DODECAMER C-G-C-G-A-A-T-T-C-G-C-G: SYMMETRY EFFECTS ON SEQUENCE-DEPENDENT DNA STRUCTURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 284 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 26.390, 26.390, 98.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.224 |
| Rwork | 0.238 |
| R-free | 0.30100 * |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.017 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.206 |
| Number of reflections | 2685 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 68.7 | 0.62 |
| Redundancy | 9.3 | 1.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 284 | KCL, BACL2, MPD, SPERMINE TETRAHYDROCHLORIDE, SODIUM CACODYLATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 284K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | KCL | ||
| 2 | 1 | 1 | BACL2 | ||
| 3 | 1 | 1 | SODIUM CACODYLATE | ||
| 4 | 1 | 1 | SPERMINE TETRAHYDROCHLORIDE | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 4 (mM) | |
| 2 | 1 | drop | sodium cacodylate | ||
| 3 | 1 | drop | minor-groove binding drug | 2 (mM) | |
| 4 | 1 | drop | MPD | 10 (%) | |
| 5 | 1 | drop | spermine tetrahydrochloride | 12 (mM) | |
| 6 | 1 | drop | 80 (mM) | ||
| 7 | 1 | drop | 20 (mM) | ||
| 8 | 1 | reservoir | MPD | 30 (%) |
