1CW9
DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.435, 43.180, 72.412 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.000 - 1.550 |
| R-factor | 0.195 * |
| Rwork | 0.203 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BDJ017 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.530 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.078 | 0.320 |
| Total number of observations | 62990 * | |
| Number of reflections | 15570 * | 1555 * |
| <I/σ(I)> | 9 | 3 |
| Completeness [%] | 95.5 | 98 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | MPD, CALCIUM CHLORIDE, SODIUM CHLORIDE, SPERMINE TETRACHLORIDE, SODIUM CACODYLATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CACL2 | ||
| 2 | 1 | 1 | NACL | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | SODIUM CACODYLATE | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | ||
| 2 | 1 | drop | MPD | 2.5 (%) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | 40 (mM) | ||
| 5 | 1 | drop | spermine tetrachloride | 6 (mM) | |
| 6 | 1 | drop | cacodylate | 25 (mM) | |
| 7 | 1 | reservoir | MPD | 35 (%) |
