5LWT
Endothiapepsin in complex with a methoxylated derivative of fragment 177
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 | 2016-01-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.384, 73.125, 52.694 |
| Unit cell angles | 90.00, 109.64, 90.00 |
Refinement procedure
| Resolution | 29.437 - 1.069 |
| R-factor | 0.129 |
| Rwork | 0.128 |
| R-free | 0.14790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y5l |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.019 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.745 | 1.130 |
| High resolution limit [Å] | 1.069 | 1.069 |
| Rmerge | 0.051 | 0.485 |
| Number of reflections | 142071 | |
| <I/σ(I)> | 13.14 | 2.29 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 3.695 | 3.566 |
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 |
