1JES
Crystal Structure of a Copper-Mediated Base Pair in DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 140 |
| Detector technology | CCD |
| Collection date | 2001-04-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.37991,1.37791,1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 25.343, 34.359, 31.093 |
| Unit cell angles | 90.00, 101.13, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.169 * |
| Rwork | 0.169 |
| R-free | 0.20200 |
| Structure solution method | MAD |
| Starting model (for MR) | initial map fit with mononucleotides |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.560 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.490 |
| Rmerge | 0.096 * | 0.686 |
| Total number of observations | 47272 * | |
| Number of reflections | 8531 * | |
| <I/σ(I)> | 46.7 | |
| Completeness [%] | 98.2 | 84.1 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% MPD, 40 mM Na Cacodylate, 12 mM Spermine tetra-HCl, 80 mM NaCl, 20 mM MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | Na Cacodylate | ||
| 3 | 1 | 1 | Spermine tetra-HCl | ||
| 4 | 1 | 1 | NaCl | ||
| 5 | 1 | 1 | MgCl2 |
