2G1S
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 | 141.838, 141.838, 141.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.25200 |
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] | 2.500 | 2.500 |
Number of reflections | 32901 | |
Completeness [%] | 1.0 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |