263D
ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-05-15 |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.700, 40.820, 64.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.174 |
| Rwork | 0.174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | GDL023 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.030 |
| Data reduction software | XENGEN |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.350 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.083 | |
| Number of reflections | 3594 | |
| Completeness [%] | 92.0 | 57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 286 | pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 286.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | SPERMINE | ||
| 5 | 1 | 1 | NA CACODYLATE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 9.5 (%) | |
| 2 | 1 | drop | TRIBIZ | 0.9 (mM) | |
| 3 | 1 | drop | 54.5 (mM) | ||
| 4 | 1 | drop | spermine | 0.2 (mM) | |
| 5 | 1 | drop | dodecamer | 0.36 (mM) | |
| 6 | 1 | reservoir | MPD | 40 (%) |
