3URL
Endothiapepsin-DB6 complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1991-01-01 |
| Detector | MAR scanner 180 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.119, 76.020, 42.883 |
| Unit cell angles | 90.00, 96.99, 90.00 |
Refinement procedure
| Resolution | 28.420 - 2.000 |
| R-factor | 0.1467 |
| Rwork | 0.147 |
| R-free | 0.23680 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.051 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | FFT |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.420 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.127 |
| Number of reflections | 17271 |
| Completeness [%] | 92.8 |
| Redundancy | 3.3 |
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 |
