1DL8
CRYSTAL STRUCTURE OF 5-F-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)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 | IMAGE PLATE |
| Collection date | 1998-03-20 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 64 |
| Unit cell lengths | 30.140, 30.140, 39.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.000 - 1.550 |
| R-factor | 0.2139 |
| Rwork | 0.214 |
| R-free | 0.26150 * |
| Starting model (for MR) | NDB ID DD0015 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.055 | 0.243 |
| Number of reflections | 3006 | |
| <I/σ(I)> | 36.6 | |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 9.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 * | 291 | MPD, SODIUM CACODYLATE, SPERMINE, NACL, MGCL2, pH 6.5, VAPOR DIFFUSION, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | NACL | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 3.3 (%) | |
| 2 | 1 | drop | sodium cacodylate | 13.3 (mM) | |
| 3 | 1 | drop | spermine tetrahydrochloride | 4 (mM) | |
| 4 | 1 | drop | 26.7 (mM) | ||
| 5 | 1 | drop | 6.7 (mM) | ||
| 6 | 1 | drop | DNA | 0.8 (mM) | double-stranded |
| 7 | 1 | drop | protein | 1.6 (mM) | |
| 8 | 1 | reservoir | MPD | 35 (%) |
