2JJJ
Endothiapepsin in complex with a gem-diol inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.690, 74.340, 42.530 |
| Unit cell angles | 90.00, 97.49, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.000 |
| R-factor | 0.112 |
| R-free | 0.13600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.041 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.320 | 1.050 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.080 | 0.070 |
| Number of reflections | 135580 | |
| <I/σ(I)> | 5.3 | 10.3 |
| Completeness [%] | 95.5 | 70.6 |
| Redundancy | 5.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
