1L1H
Crystal Structure of the Quadruplex DNA-Drug Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 55.451, 42.736, 26.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.750 |
| R-factor | 0.1438 |
| Rwork | 0.139 |
| R-free | 0.22450 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jpq |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 0.040 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.058 | 0.109 |
| Total number of observations | 24883 * | |
| Number of reflections | 6540 * | |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 94.0 | 96.2 * |
| Redundancy | 3.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 12 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 5 (%(w/v)) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | spermine | 1.6 (mM) | |
| 4 | 1 | drop | DNA | 0.5 (mM) | |
| 5 | 1 | drop | ligand | 1 (mM) | |
| 6 | 1 | drop | potassium cacodylate | 20 (mM) | pH7.0 |
| 7 | 1 | reservoir | MPD | 30 (%(w/v)) | |
| 8 | 1 | reservoir | 20 (mM) |
