1G6D
STRUCTURE OF PEPTIDYL-D(CGCAATTGCG) IN THE PRESENCE OF ZINC IONS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-08-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 27.920, 44.090, 53.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 * - 2.900 |
| R-factor | 0.208 * |
| Rwork | 0.208 |
| R-free | 0.21600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.900 | |
| Rmerge | 0.120 * | 0.490 * |
| Number of reflections | 748 * | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 92.8 * | 83.3 * |
| Redundancy | 3.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.5 mM adduct, 10mM sodium cacodylate, 0.75 mM Zn acetate, 10% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | adduct | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | Zn acetate | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
