3A0M
Structure of (PPG)4-OVG-(PPG)4, monoclinic, twinned crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-13 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.70 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.124, 26.366, 79.939 |
| Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
| Resolution | 24.800 - 1.020 |
| Rwork | 0.116 |
| R-free | 0.14290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cuo |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.800 | 1.020 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.050 | 0.350 |
| Number of reflections | 60025 | |
| Completeness [%] | 97.0 | 98.1 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 11.3%(W/V) PEG 2000, 0.05M ACETATE BUFFER, PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K |
