7O4C
Crystal structure of PASTA domains of the Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
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 PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.972, 80.562, 90.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.310 - 1.510 |
| R-factor | 0.1649 |
| Rwork | 0.163 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oau |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.510 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.042 | 0.687 |
| Rpim | 0.012 | 0.193 |
| Number of reflections | 46753 | 2309 |
| <I/σ(I)> | 30.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 400 HEPES free acid/sodium hydroxide PEG 3000 Glycerol |
