3A0A
Structure of (PPG)4-OPG-(PPG)4, monoclinic, twinned crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.007, 26.538, 80.146 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 24.740 - 1.360 |
| Rwork | 0.140 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cuo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.028 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.750 | 1.410 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.080 | 0.290 |
| Number of reflections | 23900 | |
| Completeness [%] | 96.9 | 98 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 10%(v/v) acetic acid, 15% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
