4Y3X
Endothiapepsin in complex with fragment 171
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.344, 73.035, 52.652 |
| Unit cell angles | 90.00, 109.66, 90.00 |
Refinement procedure
| Resolution | 42.700 - 1.250 |
| R-factor | 0.1208 |
| Rwork | 0.120 |
| R-free | 0.14210 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.627 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.700 | 1.330 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.400 | |
| Number of reflections | 87058 | |
| <I/σ(I)> | 13.9 | 3 |
| Completeness [%] | 97.5 | 92.7 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |
