1N5C
Crystal Structure Analysis of the B-DNA Dodecamer CGCGAATT(ethenoC)GCG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 26.723, 26.723, 101.544 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.790 |
| R-factor | 0.1612 * |
| R-free | 0.21930 * |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| Starting model (for MR) | NDB ENTRY BD0032 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.600 |
| 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] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.061 * | |
| Number of reflections | 4113 | |
| <I/σ(I)> | 22 | 2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 4 * | Drop: MPD, potassium chloride, spermine tetrahydrochloride, cacodylate; Reservoir: MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.00 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | KCl | ||
| 3 | 1 | 1 | spermine tetrahydrochloride | ||
| 4 | 1 | 1 | cacodylate | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 10 (%(v/v)) | ||
| 2 | 1 | drop | sodium cacodylate | 40 (mM) | pH7.0 |
| 3 | 1 | drop | 12 (mM) | ||
| 4 | 1 | drop | 80 (mM) | ||
| 5 | 1 | reservoir | 35 (%(v/v)) |
