4Y3H
Endothiapepsin in complex with fragment 189
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 | 2013-04-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.268, 72.907, 52.574 |
| Unit cell angles | 90.00, 109.32, 90.00 |
Refinement procedure
| Resolution | 42.719 - 1.230 |
| R-factor | 0.1093 |
| Rwork | 0.108 |
| R-free | 0.12800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.720 | 1.300 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Rmerge | 0.222 | |
| Number of reflections | 90396 | |
| <I/σ(I)> | 16.85 | 4.22 |
| Completeness [%] | 96.2 | 84.7 |
| Redundancy | 3.3 | 3 |
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 |
