282D
A CONTINOUS TRANSITION FROM A-DNA TO B-DNA IN THE 1:1 COMPLEX BETWEEN NOGALAMYCIN AND THE HEXAMER DCCCGGG
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 45.845, 45.845, 58.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.000 - 2.400 |
| R-factor | 0.183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PARTS FROM DIFFERENT SOURCES: E.G. DDF001 DDF019 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.023 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALF |
| Phasing software | AMoRE |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.300 |
| Rmerge | 0.052 | |
| Number of reflections | 2492 | |
| <I/σ(I)> | 19 | 3 |
| Completeness [%] | 80.0 | 45 |
| Redundancy | 4.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 38 * | 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 | MGCL2 | ||
| 4 | 1 | 1 | SPERMINE | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | hexanucleotide | 0.3 (mM) | |
| 2 | 1 | drop | nogalamycin | 0.6 (mM) | |
| 3 | 1 | drop | 2 (mM) | ||
| 4 | 1 | drop | spermine | 0.3 (mM) | |
| 5 | 1 | reservoir | MPD | 50 (%) |
