1E81
Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD61395
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.470, 73.580, 45.340 |
| Unit cell angles | 90.00, 110.14, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| Rwork | 0.194 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ape |
| Data reduction software | MOSFLM |
| Data scaling software | ROTAVATA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.290 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 20712 | |
| <I/σ(I)> | 4.8 | 1.9 |
| Completeness [%] | 94.8 | 89.2 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | BATCH METHOD PROTEIN: 10MG/ML, 50 MM AMMONIUM ACETATE PH 5.0, ~2.2 M AMMONIUM SULPHATE, 1% ACETONE. INHIBITOR WAS ADDED IN A 10:1 STOICHIOMETRIC RATIO. |
