7A0Z
LppS with covalent adduct derived from 1b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.94644 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.959, 75.130, 66.939 |
| Unit cell angles | 90.00, 111.79, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.450 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lbg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.639 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.040 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.033 | 0.429 |
| Rmeas | 0.045 | |
| Rpim | 0.031 | 0.390 |
| Number of reflections | 80547 | 3076 |
| <I/σ(I)> | 13.9 | 1.8 |
| Completeness [%] | 97.1 | 75.7 |
| Redundancy | 3.3 | 2.4 |
| CC(1/2) | 0.999 | 0.664 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.25 | 293 | Well solution: 0.1 M Na-Citrate pH 4.25 / 17.5% PEG 6K The crystals were cryo-protected by dipping them in mother liquor with increased: 25% PEG 6K |
