4Y4E
Endothiapepsin in complex with fragment 131
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.89500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.273, 73.192, 52.781 |
| Unit cell angles | 90.00, 109.43, 90.00 |
Refinement procedure
| Resolution | 17.611 - 1.300 |
| R-factor | 0.1151 |
| Rwork | 0.114 |
| R-free | 0.13550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.212 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.180 | 1.380 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.480 | |
| Number of reflections | 79467 | |
| <I/σ(I)> | 16.1 | 3.8 |
| Completeness [%] | 99.4 | 97.9 |
| Redundancy | 4.2 | 4 |
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 |
