7DIA
Falcilysin in complex with mefloquine
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 | 93.460, 105.740, 126.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.770 - 1.550 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s5m |
RMSD bond length | 0.006 |
RMSD bond angle | 0.893 |
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] | 48.770 | 1.606 |
High resolution limit [Å] | 1.550 | 1.551 |
Rmerge | 0.077 | 1.397 |
Rmeas | 0.080 | |
Rpim | 0.022 | 0.400 |
Number of reflections | 180861 | 17886 |
<I/σ(I)> | 23.27 | |
Completeness [%] | 100.0 | 99.68 |
Redundancy | 13.4 | 13 |
CC(1/2) | 1.000 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium acetate trihydrate pH 7.0, 20% w/v PEG 3,350 |