3URI
Endothiapepsin-DB5 complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1991-01-01 |
| Detector | ENRAF-NONIUS CAD4 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.020, 75.560, 42.800 |
| Unit cell angles | 90.00, 97.02, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.100 |
| R-factor | 0.1485 |
| Rwork | 0.148 |
| R-free | 0.25270 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.022 |
| Data reduction software | Cadral |
| Data scaling software | ROTAVATA (Agrovata) |
| Phasing software | FFT |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.150 |
| Number of reflections | 10301 |
| Completeness [%] | 60.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method | 4.5 | 298 | 0.1M acetate buffer. 10-fold molar excess of inhibitor DB5 over enzyme. Enzyme concentration 2 mg/ml. 2.2M ammonium sulphate. , pH 4.5, Batch method, temperature 298K |
