1HHC
Crystal structure of Decaplanin - space group P21, second form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | SIEMENS-STOE-HUBER |
| Temperature [K] | 133 |
| Detector technology | CCD |
| Collection date | 1998-12-15 |
| Detector | SIEMENS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.945, 31.908, 34.735 |
| Unit cell angles | 90.00, 109.87, 90.00 |
Refinement procedure
| Resolution | 18.080 - 1.130 |
| R-factor | 0.2221 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hh3 |
| RMSD bond length | 0.042 |
| RMSD bond angle | 0.041 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.080 | 1.250 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.098 | 0.302 |
| Number of reflections | 20450 | |
| <I/σ(I)> | 12.34 | 4.67 |
| Completeness [%] | 96.8 | 88.2 |
| Redundancy | 7.14 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1M NA3CIT PH=7.0, PH 7.00 |
