344D
DETERMINATION BY MAD-DM OF THE STRUCTURE OF THE DNA DUPLEX D(ACGTACG(5-BRU))2 AT 1.46A AND 100K
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 | 1996-05-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 43.597, 43.597, 26.268 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | ? - 1.460 |
| R-factor | 0.109 * |
| R-free | 0.20030 * |
| Structure solution method | MAD |
| Starting model (for MR) | NDB ENTRY ADH070 (PDB ENTRY 243D) |
| RMSD bond length | 0.059 * |
| RMSD bond angle | 2.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | SHELXL-96 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.071 | 0.137 |
| Number of reflections | 8062 | |
| <I/σ(I)> | 0.137 | |
| Completeness [%] | 98.3 | 60.1 |
| Redundancy | 4.35 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 285 * | pH 6.50 |
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 (%) |
