2G26
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 141.747, 141.747, 141.747 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.500 |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 54225 | |
| Completeness [%] | 1.0 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
