3G6Z
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.503, 94.751, 119.832 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1984 |
Rwork | 0.195 |
R-free | 0.25795 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.474 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.117 | 0.490 |
Number of reflections | 52656 | |
<I/σ(I)> | 4.1 | 1.7 |
Completeness [%] | 91.6 | 71.7 |
Redundancy | 4.9 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |