1ENE
1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-11-19 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 31.750, 25.725, 34.088 |
| Unit cell angles | 90.00, 116.88, 90.00 |
Refinement procedure
| Resolution | 8.000 - 0.985 |
| R-factor | 0.1214 |
| Rwork | 0.121 |
| R-free | 0.14770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BDJ019 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.730 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.016 |
| High resolution limit [Å] | 0.985 | 0.985 |
| Rmerge | 0.032 | 0.090 |
| Total number of observations | 62360 * | |
| Number of reflections | 13423 | |
| <I/σ(I)> | 30.7 | 9.1 |
| Completeness [%] | 95.5 | 91.5 |
| Redundancy | 4.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 * | sitting drop vapor diffusion in nine-well plates * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | calcium acetate | ||
| 2 | 1 | 1 | streptonigrin | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | duplex DNA | 0.17 (mM) | |
| 2 | 1 | drop | divalent cation | 61.20 (mM) | |
| 3 | 1 | reservoir | MPD | 30 (%) |
