1HH3
Decaplanin first P21-Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-15 |
| Detector | CHESS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 25.604, 38.598, 31.713 |
| Unit cell angles | 90.00, 105.88, 90.00 |
Refinement procedure
| Resolution | 30.500 - 1.000 |
| R-factor | 0.1148 |
| R-free | 0.14780 |
| Structure solution method | DIRECT METHODS |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.500 | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.048 | 0.166 |
| Number of reflections | 32325 | |
| <I/σ(I)> | 12.22 | 4.45 |
| Completeness [%] | 98.5 | 96.2 |
| Redundancy | 10.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 39% LI2SO4, 0.2M TRIS 8.5, 20% GLYCEROL, pH 8.50 |
