7SKL
Complex between S. aureus aureolysin and IMPI mutant I57I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 41 |
Unit cell lengths | 68.080, 68.080, 166.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.100 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.050 | 1.069 |
Rpim | 0.029 | 0.618 |
Number of reflections | 99152 | 16384 |
<I/σ(I)> | 14.2 | 1.8 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 4 | |
CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Best crystals of aureolysin in complex with IMPI mutant I57F were obtained at 20 dgrees with protein solutions consisting of 5 mg/mL of aureolysin and 2.9 mg/mL of IMPI (peptidase:inhibitor molar ratio of 1:2.5) in 50 mM Tris-HCl, 150 mM sodium chloride, 1.6 mM calcium chloride, 8.3 microM zinc chloride, pH 8.0, which was mixed with reservoir solution comprising 0.1 M Bis-Tris, 25% (w/v) PEG 3350, pH 5.5. |