3EY2
A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2006-03-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9788 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.690, 42.920, 46.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.040 |
| R-factor | 0.1251 |
| Rwork | 0.125 |
| R-free | 0.15260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 411d |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.031 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.090 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.057 | 0.350 |
| Number of reflections | 23179 | |
| <I/σ(I)> | 44.12 | 13.03 |
| Completeness [%] | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 5% MPD, 20 mM Sodium Cacodylate (pH 7.0), 6 mM Spermine tetra-HCl, 40 mM Potassium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | Sodium Cacodylate | ||
| 3 | 1 | 1 | Spermine tetra-HCl | ||
| 4 | 1 | 1 | Potassium Chloride | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | Sodium Cacodylate | ||
| 7 | 1 | 2 | Spermine tetra-HCl | ||
| 8 | 1 | 2 | Potassium Chloride |
