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 (%) |