1PE7
Thermolysin with bicyclic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.800, 93.800, 131.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.820 |
| R-factor | 0.139 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.700 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.170 | 1.960 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.057 | 0.156 |
| Number of reflections | 29471 | |
| <I/σ(I)> | 17.4 | 3.1 |
| Completeness [%] | 90.5 | 59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | VAPOR DIFFUSION, temperature 298K |
