2IKU
Crystal Structure of Human Renin Complexed with Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 141.162, 141.162, 141.162 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iko |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.359 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.125 | 0.539 |
| Number of reflections | 28798 | |
| <I/σ(I)> | 7.7 | 2.08 |
| Completeness [%] | 98.7 | 99.9 |
| Redundancy | 4.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 10-20% PEG 3350, 50 mM sodium citrate pH 4.5, 0.6 M NaCl., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
