4Y5C
Endothiapepsin in complex with fragment 267
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 | 45.277, 73.054, 52.798 |
| Unit cell angles | 90.00, 109.36, 90.00 |
Refinement procedure
| Resolution | 39.545 - 1.190 |
| R-factor | 0.1166 |
| Rwork | 0.115 |
| R-free | 0.14050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.201 |
| 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] | 42.717 | 1.260 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.494 | |
| Number of reflections | 104430 | |
| <I/σ(I)> | 17.98 | 2.24 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 3.54 | 3.27 |
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 |
