2JJI
Endothiapepsin in complex with a gem-diol inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 293 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.030, 75.720, 42.970 |
| Unit cell angles | 90.00, 97.02, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.570 |
| R-factor | 0.157 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 0.048 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.240 | 1.650 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.050 | 0.260 |
| Number of reflections | 289999 | |
| <I/σ(I)> | 8.7 | 2.4 |
| Completeness [%] | 94.3 | 82.9 |
| Redundancy | 5.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
