8K7P
Staphylococcus aureus lipase -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 | 132.324, 132.324, 248.636 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.160 - 2.190 |
R-factor | 0.19936 |
Rwork | 0.198 |
R-free | 0.21806 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.744 |
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 | 2.320 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmeas | 0.110 | |
Number of reflections | 217650 | 35067 |
<I/σ(I)> | 9.57 | |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 7.1 | 6.69 |
CC(1/2) | 0.999 | 0.427 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 296 | Sodium Formate, Acetate |