1U8B
Crystal structure of the methylated N-ADA/DNA complex
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2001-08-10 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.9793552, 0.9796687, 0.9537308 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.842, 84.593, 108.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.400 - 2.100 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.27400 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.400 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 26737 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 91.3 | 64.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 298 | 100 mM sodium cacodylate, 100 mM NaCl, 50 mM magnesium chloride, 20% OEG 8000, pH 6.30, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 10 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | magnesium chloride | ||
| 4 | 1 | 1 | PEG 8000 | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | sodium cacodylate | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | magnesium chloride | ||
| 9 | 1 | 2 | PEG 8000 |
