3G72
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 |
Collection date | 2004-11-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.788, 87.525, 116.986 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.820 - 1.900 |
R-factor | 0.18599 |
Rwork | 0.183 |
R-free | 0.23524 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.677 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 70.000 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.094 |
Number of reflections | 51537 |
Completeness [%] | 97.2 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |