7DI7
Falcilysin in complex with chloroquine
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 | 93.940, 106.610, 127.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.200 - 1.820 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.19840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s5m |
RMSD bond length | 0.006 |
RMSD bond angle | 0.815 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.200 | 1.887 |
High resolution limit [Å] | 1.820 | 1.821 |
Rmerge | 0.139 | 1.347 |
Number of reflections | 115028 | 11325 |
<I/σ(I)> | 16.88 | 1.94 |
Completeness [%] | 99.9 | 99.61 |
Redundancy | 13.5 | |
CC(1/2) | 0.999 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium acetate trihydrate pH 8.0, 20% w/v PEG 3,350 |