7ONN
Crystal structure of PBP3 transpeptidase domain from E. coli in complex with AIC499
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 110.383, 110.383, 142.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.800 - 1.920 |
| R-factor | 0.2256 |
| Rwork | 0.223 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjp |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 2.220 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmeas | 0.066 | 1.602 |
| Number of reflections | 18221 | 911 |
| <I/σ(I)> | 24.4 | 2.3 |
| Completeness [%] | 95.0 | 74.3 |
| Redundancy | 18.1 | 14.6 |
| CC(1/2) | 0.999 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10 mg/ml PBP3, 0.1 M MES, 25% (w/v) PEG 1000, 0.5 mM AIC499 |
