4Y3Y
Endothiapepsin in complex with fragment B42
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 | 2013-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.322, 72.909, 52.652 |
| Unit cell angles | 90.00, 109.23, 90.00 |
Refinement procedure
| Resolution | 34.728 - 1.346 |
| R-factor | 0.118 |
| Rwork | 0.117 |
| R-free | 0.14160 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.307 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.793 | 1.430 |
| High resolution limit [Å] | 1.346 | 1.350 |
| Rmerge | 0.550 | |
| Number of reflections | 70867 | |
| <I/σ(I)> | 18.66 | |
| Completeness [%] | 99.0 | 95.2 |
| Redundancy | 3.7 | 3.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000, crystals obtained by streak seeding |
