8K7Q
Staphylococcus aureus lipase S116A inactive mutant-PSA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 131.348, 131.348, 249.851 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 2.020 |
R-factor | 0.2189 |
Rwork | 0.218 |
R-free | 0.23905 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.646 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmeas | 0.080 | 0.246 |
Number of reflections | 272631 | 43891 |
<I/σ(I)> | 12.96 | |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 7.09 | 6.72 |
CC(1/2) | 0.999 | 0.503 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 2.45M Sodium Formate, 0.1M Sodium Acetate pH4.5 |