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 |