1RQY
9-amino-[N-(2-dimethylamino)proply]-acridine-4-carboxamide bound to d(CGTACG)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-03-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 28.745, 52.124, 40.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.550 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.28630 |
| Structure solution method | refinement |
| Starting model (for MR) | 1fn1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.017 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 4786 | |
| <I/σ(I)> | 12 | 3.8 |
| Completeness [%] | 97.6 | 81.7 |
| Redundancy | 9.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285 | sodium cacodylate, magnesium acetate, cobalt chloride, spermine, MPD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 10 | 1 | 2 | MPD | ||
| 11 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | magnesium acetate | ||
| 3 | 1 | 1 | cobalt chloride | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | magnesium acetate | ||
| 9 | 1 | 2 | cobalt chloride |
