1N4E
Crystal Structure of a DNA Decamer Containing a Thymine-dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 21.110, 54.010, 74.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| Rwork | 0.197 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.034 * |
| RMSD bond angle | 1.470 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.053 * | 0.198 * |
| Total number of observations | 10325 * | |
| Number of reflections | 4616 | |
| Completeness [%] | 88.6 | 76.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 4 and 20 * | used microseeding * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MgCl2 | ||
| 2 | 1 | 1 | HEPES-Na | ||
| 3 | 1 | 1 | PEG 400 | ||
| 4 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 1.5 (mM) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | reservoir | 0.2 (M) | ||
| 5 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
| 6 | 1 | reservoir | PEG400 | 30 (%) |
