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 |