2FIH
Crystal Structure Analysis of the B-DNA Dodecamer CGCGAA-aU-TCGCG, with Incorporated Arabino-Uridine (aU)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2002-08-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.474, 39.757, 65.345 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.130 |
R-factor | 0.191 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NDB entry BDL084/PDB entry 355D |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.170 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.033 | 0.200 |
Number of reflections | 23845 | |
Completeness [%] | 96.3 | 59.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 291 | Final droplet composition: 0.6mM oligonucleotide, 20mM sodium cacodylate, 6.3mM Mg(OAc)2, and 3mM spermine tetrahydrochloride., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 7.00 |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium cacodylate | ||
2 | 1 | 1 | Mg(OAc)2 | ||
3 | 1 | 1 | spermine | ||
4 | 1 | 1 | tetrahydrochloride | ||
5 | 1 | 1 | H2O | ||
6 | 1 | 2 | sodium cacodylate | ||
7 | 1 | 2 | Mg(OAc)2 | ||
8 | 1 | 2 | H2O |