1VRO
Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure
Replaces: 1N6SExperimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2002-01-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9561, 0.9787, 0.9784 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.778, 31.348, 44.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| Rwork | 0.097 |
| R-free | 0.12900 |
| Structure solution method | MAD |
| RMSD bond length | 0.028 |
| RMSD bond angle | 0.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.041 | 0.075 |
| Number of reflections | 9718 | |
| <I/σ(I)> | 22.7 | 15.85 |
| Completeness [%] | 97.7 | 95.4 |
| Redundancy | 7.47 | 7.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.5mM DNA, 4mM-15mM magnesium chloride, 50mM sodium cacodylate, 2mM-8mM spermine tetrahydrochloride and reservoir 30% 2-methyl-2,4-pentanediol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | DNA | ||
| 2 | 1 | 1 | MgCl | ||
| 3 | 1 | 1 | sodium cacodylate | ||
| 4 | 1 | 1 | spermine tetrahydrochloride | ||
| 5 | 1 | 2 | MPD |
