366D
1.3 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/6-BROMO-9-AMINO-DACA COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 64 |
| Unit cell lengths | 30.110, 30.110, 39.560 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.300 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | SHELXL-96 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | |
| High resolution limit [Å] | 1.300 | 1.300 * |
| Rmerge | 0.068 * | |
| Total number of observations | 31514 * | |
| Number of reflections | 9306 * | |
| Completeness [%] | 95.3 | 37 * |
| Redundancy | 3.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.5 | 285 * | pH 6.5, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.5 (mM) | |
| 2 | 1 | drop | cacodylate | 50 (mM) | |
| 3 | 1 | drop | magnesium acetate | 2.0 (mM) | |
| 4 | 1 | drop | sperine-4HCl | 3.0 (mM) | |
| 5 | 1 | drop | MPD | 5 (%) | |
| 6 | 1 | reservoir | MPD | 30 (%) |
