9I9T
Room-temperature structure of PBP2a at EuXFEL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
| Synchrotron site | European XFEL |
| Beamline | SPB/SFX |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2024-04-08 |
| Detector | AGIPD |
| Wavelength(s) | 0.133 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.700, 106.600, 186.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.390 - 3.500 |
| R-factor | 0.24804 |
| Rwork | 0.245 |
| R-free | 0.31578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.289 |
| Data reduction software | CrystFEL |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 3.500 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Number of reflections | 23286 | 2282 |
| <I/σ(I)> | 5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 635 | |
| CC(1/2) | 0.980 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 0.1 M Hepes pH 7, 25% PEG 1500, 0.88 M NaCl, 0.016 M CdCl2 |
