3OQF
Crystal Structure Analysis of Renin-indole-piperazine inhibitor complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 143.220, 143.220, 143.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.610 - 2.780 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.20130 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER-TNT (BUSTER 2.9.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.610 | 2.930 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.138 | 0.397 |
| Number of reflections | 24795 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 100 | |
| Redundancy | 4.8 | 4.4 |
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 |
