1EDR
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATTCGCG) AT 1.6 ANGSTROM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 100 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1999-04-17 |
| Detector | WEISSENBERG |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.500, 39.800, 66.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 1.600 |
| R-factor | 0.218 |
| Rwork | 0.211 |
| R-free | 0.27000 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.840) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.036 | 0.085 |
| Total number of observations | 28875 * | |
| Number of reflections | 7518 | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 79.7 | 59.5 * |
| Redundancy | 3.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 | 277 | MPD, MAGNESIUM ACETATE, SPERMINE TETRAHYDROCHLORIDE, NACL, SODIUM CACODYLATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
| 1 | unknown * | 7 | 277 | MPD, MAGNESIUM ACETATE, SPERMINE TETRAHYDROCHLORIDE, NACL, SODIUM CACODYLATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MAGNESIUM ACETATE | ||
| 2 | 1 | 1 | SPERMINE TETRAHYDROCHLORIDE | ||
| 3 | 1 | 1 | NACL | ||
| 4 | 1 | 1 | SODIUM CACODYLATE | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
