8CRL
Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.320, 74.270, 92.730 |
| Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.23687 |
| Rwork | 0.235 |
| R-free | 0.27321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8cri |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.291 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.080 | 0.673 |
| Number of reflections | 23850 | 2622 |
| <I/σ(I)> | 9.1 | 2.4 |
| Completeness [%] | 96.4 | 98.8 |
| Redundancy | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS, 0.2 M CaCl2, 25% PEG 4000 |
