3EY1
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 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.930, 66.620, 38.770 |
| Unit cell angles | 90.00, 103.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d0p USING THE PROTEIN MOLECULE ALONE. |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.052 | 0.290 |
| Number of reflections | 26499 | |
| <I/σ(I)> | 363.5 | 9.9 |
| Completeness [%] | 99.4 | 96.9 |
| Redundancy | 5.8 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.1 M Sodium Acetate (pH 4.6), 0.2 M ammonium sulphate, 25% PEG 4000., VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Sodium Acetate | ||
| 2 | 1 | 1 | ammonium sulphate | ||
| 3 | 1 | 1 | PEG 4000 | ||
| 4 | 1 | 2 | Sodium Acetate | ||
| 5 | 1 | 2 | ammonium sulphate | ||
| 6 | 1 | 2 | PEG 4000 |
