7DIJ
Falcilysin in complex with MK-4815
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-09 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.520, 105.830, 125.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.780 - 1.900 |
| R-factor | 0.1862 |
| Rwork | 0.185 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s5m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.003 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.780 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.143 | 1.358 |
| Rmeas | 0.149 | |
| Rpim | 0.041 | 0.385 |
| Number of reflections | 98800 | 9660 |
| <I/σ(I)> | 15.48 | |
| Completeness [%] | 99.8 | 98.83 |
| Redundancy | 13.2 | 13.1 |
| CC(1/2) | 0.999 | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium acetate, 0.1 M Tris pH 8.5, 25% w/v PEG 3,350 |
