298D
TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
Experimental procedure
| Source type | ROTATING ANODE |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-09-12 |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.600, 40.070, 65.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 3.500 * |
| R-factor | 0.169 |
| Rwork | 0.169 |
| Starting model (for MR) | BDL001 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.530 |
| Data reduction software | XENGEN (V. 1.3) |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.073 |
| Number of reflections | 3146 |
| Completeness [%] | 87.6 |
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 | 50 (%(w/v)) | |
| 2 | 1 | drop | A2T2complex solution | 5 (mM) | |
| 3 | 1 | drop | 15 (mM) | ||
| 4 | 1 | drop | spermine | 2.5 (mM) | |
| 5 | 1 | reservoir | MPD | 55 (%(w/v)) | |
| 6 | 1 | drop | A2T2 solution | 2 (mM) |
