1HQ7
CRYSTALLOGRAPHIC STUDIES OF A DODECAMER B-DNA D-(GCAAACGTTTGC)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 108 |
| Detector technology | CCD |
| Collection date | 2000-06-07 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.0722 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 39.638, 39.638, 98.591 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.000 - 2.100 |
| R-factor | 0.237 |
| Rwork | 0.237 |
| R-free | 0.26600 |
| Structure solution method | MAD |
| RMSD bond length | 0.002 * |
| RMSD bond angle | 2.070 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.064 | 0.234 |
| Total number of observations | 54956 * | |
| Number of reflections | 5576 * | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 94.6 | 99.6 |
| Redundancy | 9.9 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | 277 | MPD, magnesium acetate, sodium cacodylate, spermine tetrahydrochloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
| 1 | unknown * | 6 | 277 | MPD, magnesium acetate, sodium cacodylate, spermine tetrahydrochloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | magnesium acetate | ||
| 3 | 1 | 1 | sodium cacodylate | ||
| 4 | 1 | 1 | spermine tetrahydrochloride | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | spermine tetrahydrochloride | 1 (mM) | ||
| 2 | 1 | MPD | 30 (%) | ||
| 3 | 1 | magnesium acetate | 40 (mM) | ||
| 4 | 1 | sodium cacodylate | 50 (mM) | pH6.0 |
