3OQK
Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-23 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 141.387, 141.387, 141.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.990 - 2.900 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.25300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.140 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.063 | 0.697 |
| Number of reflections | 21155 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 298 | 0.05M CITRATE PH=4.5, 10-12% PEG3350, 0.6M NACL, 20 MG/ML RENIN, VAPOUR DIFFUSION, HANGING DROP, hanging drop, temperature 298K |
