258D
FACTORS AFFECTING SEQUENCE SELECTIVITY ON NOGALAMYCIN INTERCALATION: THE CRYSTAL STRUCTURE OF D(TGTACA)-NOGALAMYCIN
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-07-01 |
| Detector | HENDRIX-LENTFER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 26.300, 51.980, 67.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.690 - 1.580 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB ENTRY DDF049 (PDB: 182D) |
| RMSD bond length | 0.015 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-93 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.690 | 1.660 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.046 | 0.196 |
| Number of reflections | 13148 | |
| Completeness [%] | 94.0 | 69.5 |
| Redundancy | 6.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 4 * | pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 5 | 1 | 1 | MG ACETATE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | double-stranded oligonucleotide | 1.3 (mM) | |
| 2 | 1 | drop | nogalamycin | 1.6 (mM) | |
| 3 | 1 | drop | sodium cacodylate | 20 (mM) | |
| 4 | 1 | drop | magnesium acetate | 18 (mM) | |
| 5 | 1 | drop | MPD | 8-10 (%(v/v)) | |
| 6 | 1 | drop | spermine | 0.4 (mM) | |
| 7 | 1 | reservoir | 0.100ml |
