7O49
Crystal structure of 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 | 2019-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 311.862, 197.148, 221.596 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 3.030 |
| R-factor | 0.2128 |
| Rwork | 0.211 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tro |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.517 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.015 | 3.416 |
| High resolution limit [Å] | 3.030 | 3.033 |
| Rmerge | 0.173 | 1.195 |
| Rpim | 0.058 | 0.401 |
| Number of reflections | 145321 | 7266 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 89.8 | |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | D,L-malic acid |
