3G70
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 | 65.730, 89.460, 118.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.980 - 2.000 |
R-factor | 0.19947 |
Rwork | 0.196 |
R-free | 0.26291 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.488 |
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] | 2.000 |
Rmerge | 0.075 |
Number of reflections | 40473 |
Completeness [%] | 85.0 |
Redundancy | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 25-30% PEG 4000, 0.6M NaCl, 0.1M Citrate(pH 4-5), VAPOR DIFFUSION, SITTING DROP, temperature 293K |