4Y4G
Endothiapepsin in complex with fragment B53
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 | 45.212, 73.111, 52.579 |
| Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
| Resolution | 42.685 - 1.439 |
| R-factor | 0.122 |
| Rwork | 0.120 |
| R-free | 0.15910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.283 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.685 | 1.530 |
| High resolution limit [Å] | 1.439 | 1.440 |
| Rmerge | 0.606 | |
| Number of reflections | 57252 | |
| <I/σ(I)> | 12.19 | |
| Completeness [%] | 97.8 | 95.9 |
| Redundancy | 3.87 | 3.94 |
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 400, crystals obtained by streak seeding |
