3URJ
Type IV native endothiapepsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1991-01-01 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.110, 75.700, 42.920 |
| Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.1491 |
| Rwork | 0.149 |
| R-free | 0.21310 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.021 |
| Data reduction software | MADNESS |
| 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] | 1.900 |
| Rmerge | 0.046 |
| Number of reflections | 19248 |
| Completeness [%] | 90.7 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method | 4.5 | 298 | 0.1M acetate buffer, 2.2M ammonium sulphate, 10-fold molar excess of inhibitor DB3 over enzyme; enzyme concentration 2mg/ml at room-temperature. , pH 4.5, Batch method, temperature 298K |
