8VEP
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by piperacillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.621, 61.621, 110.534 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.070 - 2.002 |
| Rwork | 0.170 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.613 |
| Data reduction software | HKL-2000 (v720) |
| Data scaling software | HKL-2000 (v720) |
| Phasing software | REFMAC (5.8.0267) |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.070 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.177 | 0.552 |
| Rpim | 0.074 | 0.246 |
| Number of reflections | 23839 | 2303 |
| <I/σ(I)> | 9.9 | 2.3 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 6.6 | 5.8 |
| CC(1/2) | 0.990 | 0.829 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.8 | 291 | 32-40% PEG 600, 0.1 M CHES |
