1VZK
A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-04-28 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.677, 39.921, 65.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.770 |
| R-factor | 0.2273 |
| R-free | 0.29530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DNA PART OF NDB ENTRY GDL009 OR PDB ENTRY 2DBE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.043 | 0.135 |
| Number of reflections | 6667 | |
| <I/σ(I)> | 70.18 | 13.16 |
| Completeness [%] | 95.2 | 92.5 |
| Redundancy | 6.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | MGCL2, DNA, COMPOUND DB818, MPD, SPERMINE, SODIUM CACODYLATE BUFFER., pH 7.00 |
