3OOT
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] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 143.554, 143.554, 143.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.180 - 2.550 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.22030 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.230 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
| Rmerge | 0.102 | 0.059 | 0.643 |
| Number of reflections | 31582 | ||
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 97.7 | 91.7 | 98.3 |
| Redundancy | 2.2 | 2.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.05M CITRATE PH=4.5, 10-12% PEG3350, 0.6M NACL, 20 MG/ML RENIN, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
