460D
A "HYDRAT-ION SPINE" IN A B-DNA MINOR GROOVE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-11-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.111, 39.731, 65.829 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.200 |
| R-factor | 0.179 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.021 |
| 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 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.068 | 0.115 |
| Number of reflections | 20661 | |
| Completeness [%] | 97.3 | 93.3 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 275 | SITTING DROPLETS CONTAINING 1.2 MM OLIGONUCLEOTIDE, 20 MM RB CACODYLATE PH 6.9, 25 MM MAGNESIUM ACETATE, 3.2 MM SPERMINE TETRACLORIDE AGAINST RESERVOIR OF 40% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 275K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | RB CACODYLATE | ||
| 2 | 1 | 1 | ONUCLEMAGNESIUM ACETATE | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 1.2 (mM) | |
| 2 | 1 | reservoir | 25.0 (mM) | ||
| 3 | 1 | reservoir | spermine | 3.2 (mM) | |
| 4 | 1 | reservoir | 40 (%) | ||
| 5 | 1 | reservoir | rubidium cacodylate | 20 (mM) |
