8VEN
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with cefoperazone
This is a non-PDB format compatible entry.
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 | 2022-03-06 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.618, 61.436, 109.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.030 - 1.800 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.20100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.682 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.8.0267) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.104 | 0.401 |
| Rmeas | 0.112 | 0.432 |
| Rpim | 0.040 | 0.157 |
| Number of reflections | 32541 | 1577 |
| <I/σ(I)> | 18.9 | 3.2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 7.2 | 7.4 |
| CC(1/2) | 0.996 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 32-40% PEG 600, 0.1 M CHES |
