6VBM
Crystal structure of a S310A mutant of PBP2 from Neisseria gonorrhoeae
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 | 2019-02-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.594, 77.007, 87.889 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 39.100 - 1.710 |
| R-factor | 0.19509 |
| Rwork | 0.194 |
| R-free | 0.22170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6p53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.281 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | FFT |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.100 | 1.750 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.069 | 0.400 |
| Rpim | 0.034 | 0.206 |
| Number of reflections | 63070 | 2904 |
| <I/σ(I)> | 45.9 | 3 |
| Completeness [%] | 98.6 | 92.6 |
| Redundancy | 5.1 | |
| CC(1/2) | 0.990 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.3 | 291 | 0.1 M CHES, 40% PEG 600 |
