1XA2
Cobalt hexammine induced tautomeric shift in Z-DNA: the structure of d(CGCGCA).d(TGCGCG) in two crystal forms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2003-11-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 17.976, 30.926, 44.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.110 - 1.710 |
R-factor | 0.2102 |
Rwork | 0.208 |
R-free | 0.23983 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | standard FIBER MODEL Z-DNA HEXAMER WITH A-T BASE PAIR AT ONE TERMINAL |
RMSD bond length | 0.017 |
RMSD bond angle | 2.201 |
Data reduction software | AUTOMAR |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.110 | 1.770 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.057 | 0.149 |
Number of reflections | 2766 | |
<I/σ(I)> | 5.8 | |
Completeness [%] | 93.9 | 99.1 |
Redundancy | 3.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | MPD, sodium cacodylate, cobalt hexammine chloride, spermine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | sodium cacodylate | ||
3 | 1 | 1 | cobalt hexammine chloride | ||
4 | 1 | 1 | spermine | ||
5 | 1 | 1 | H2O | ||
6 | 1 | 2 | MPD | ||
7 | 1 | 2 | sodium cacodylate | ||
8 | 1 | 2 | cobalt hexammine chloride | ||
9 | 1 | 2 | H2O |