5LWU
Structure resulting from an endothiapepsin crystal soaked with a dimeric 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 | 45.325, 73.340, 53.063 |
| Unit cell angles | 90.00, 109.86, 90.00 |
Refinement procedure
| Resolution | 39.766 - 1.109 |
| R-factor | 0.1236 |
| Rwork | 0.123 |
| R-free | 0.14250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y5l |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.968 |
| 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] | 42.629 | 1.180 |
| High resolution limit [Å] | 1.109 | 1.110 |
| Rmerge | 0.047 | 0.486 |
| Number of reflections | 128260 | |
| <I/σ(I)> | 13.46 | 2.34 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 3.712 | 3.619 |
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 |
