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 |