223D
DIRECT OBSERVATION OF TWO BASE-PAIRING MODES OF A CYTOSINE-THYMINE ANALOGUE WITH GUANINE IN A DNA Z-FORM DUPLEX: SIGNIFICANCE FOR BASE ANALOGUE MUTAGENESIS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 292 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5R |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 18.230, 30.630, 43.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.700 |
| R-factor | 0.179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ZDF002 |
| RMSD bond length | 0.071 |
| RMSD bond angle | 0.048 |
| Phasing software | MERLOT |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| Rmerge | 0.004 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 4 * | pH 6.50, VAPOR DIFFUSION, temperature 277.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | NA CACODYLATE | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 2 | WATER | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | oligonucleotide | 2 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 25 (mM) | |
| 3 | 1 | drop | 15 (mM) | ||
| 4 | 1 | reservoir | MPD | 50 (%(v/v)) |
