476D
CALCIUM FORM OF B-DNA UNDECAMER GCGAATTCGCG
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 | 1998-09-05 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 38.764, 38.764, 99.084 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.300 |
| R-factor | 0.22 * |
| Rwork | 0.182 |
| R-free | 0.22000 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.006 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.340 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.089 | 0.309 |
| Total number of observations | 54240 * | |
| Number of reflections | 13911 | |
| <I/σ(I)> | 28.9 | |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 6.9 | 295 | SITTING DROPS CONTAIN 1.0 MM SINGLE STRAND OLIGONUCLEOTIDE,20 MM SODIUM CACODYLATE BUFFER PH 6.9, 20 MM CALCIUM CLORIDE,AGAINST RESERVOIR OF 40% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | CACL2 | ||
| 3 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | DNA single strand | 0.8-1.2 (mM) | |
| 2 | 1 | 1 | 10-40 (mM) | ||
| 3 | 1 | 1 | MPD | 40 (%) |
