7O4B
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with penicillin G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 180.649, 180.649, 223.466 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.505 - 2.593 |
| Rwork | 0.205 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tro |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.566 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.513 | 2.846 |
| High resolution limit [Å] | 2.593 | 2.593 |
| Rmerge | 0.147 | 2.163 |
| Rpim | 0.030 | 0.420 |
| Number of reflections | 45182 | 2260 |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 96.3 | |
| Redundancy | 24.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | sodium citrate |
