3GW5
Crystal structure of human renin complexed with a novel inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.203, 97.069, 149.546 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.25600 |
Starting model (for MR) | 3d91 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.863 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 45324 | |
<I/σ(I)> | 1.6 | |
Completeness [%] | 83.7 | 76.3 |
Redundancy | 4.2 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | 0.1 M Tris-HCl, pH 7-8, 0.2 M (NH4)2SO4, 18-26% PEG3550, 5 mg/ml renin, 1 mM inhibitor , VAPOR DIFFUSION, HANGING DROP, temperature 278K |