4U3T
Crystal structure of the transpeptidase domain of Neisseria gonorrhoeae penicillin-binding protein 2 derived from the penicillin-resistant strain 6140
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 | CCD |
| Collection date | 2013-07-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.500, 77.400, 88.000 |
| Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
| Resolution | 35.450 - 2.200 |
| R-factor | 0.19535 |
| Rwork | 0.193 |
| R-free | 0.24319 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3equ |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.445 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.077 | 0.283 |
| Number of reflections | 29597 | |
| <I/σ(I)> | 31.5 | 4.2 |
| Completeness [%] | 96.9 | 78 |
| Redundancy | 5.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 21% PEG 6000, 0.1 M HEPES pH 7.8 |
