9L3C
Staphylococcus aureus lipase-Penfluridol complex (on the ground)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 127.473, 127.473, 252.519 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.230 |
| R-factor | 0.19166 |
| Rwork | 0.190 |
| R-free | 0.22441 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.568 |
| 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 | 2.370 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 192595 | 7034 |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 13.1 | 13 |
| CC(1/2) | 0.998 | 0.457 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 2.8M Sodium Formate, Acetate |
