8VBT
Structure of the monofunctional Staphylococcus aureus PBP1 in its apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.727, 72.180, 86.910 |
| Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
| Resolution | 86.380 - 2.000 |
| R-factor | 0.2368 |
| Rwork | 0.235 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.894 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.380 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.200 | 0.640 |
| Rpim | 0.150 | 0.470 |
| Number of reflections | 72399 | 4452 |
| <I/σ(I)> | 4.1 | 1.3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.3 | 5.2 |
| CC(1/2) | 0.974 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.18M ammonium citrate, 22% PEG 3350 |
