4Y5B
Endothiapepsin in complex with fragment 261
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 | 2013-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.404, 73.090, 52.764 |
| Unit cell angles | 90.00, 109.48, 90.00 |
Refinement procedure
| Resolution | 28.135 - 1.240 |
| R-factor | 0.1222 |
| Rwork | 0.121 |
| R-free | 0.14450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.207 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.804 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.473 | |
| Number of reflections | 91683 | |
| <I/σ(I)> | 16.66 | 2.3 |
| Completeness [%] | 99.3 | 98.1 |
| Redundancy | 3.6 | 3.4 |
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 |
