473D
NI2+/GUANINE INTERACTIONS AND NETROPSIN/GUANINE STACKING IN D(CGTATATACG)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.180, 39.110, 53.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 * - 1.580 |
| R-factor | 0.247 * |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.071 | 0.303 |
| Total number of observations | 40123 * | |
| Number of reflections | 7613 | |
| Completeness [%] | 98.6 * | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 | 293 | 0.2 MM DUPLEX, 10 MM NICL2, 2 MM NETROPSIN, 25 MM NA-CACODILATE (BUFFER), 4% MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | NICL2 | ||
| 2 | 1 | 1 | NETROPSIN | ||
| 3 | 1 | 1 | SODIUM CACODYLATE | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 4 (%(v/v)) | |
| 2 | 1 | drop | sodium cacodylate | 25 (mM) | |
| 3 | 1 | drop | DNA | 0.2 (mM) | |
| 4 | 1 | drop | 10 (mM) | ||
| 5 | 1 | drop | netropsin | 2 (mM) | |
| 6 | 1 | reservoir | MPD | 6 (%(v/v)) |
