8YIB
Staphylococcus aureus lipase -PSA complex - covalent bonding state
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 | 132.548, 132.548, 249.754 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.290 - 2.270 |
R-factor | 0.19848 |
Rwork | 0.197 |
R-free | 0.22124 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.721 |
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 | 2.410 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmeas | 0.084 | |
Number of reflections | 195118 | 31379 |
<I/σ(I)> | 13.31 | |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 6.29 | 5.87 |
CC(1/2) | 0.999 | 0.515 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | Sodium Formate, Acetate |