7LC4
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.765, 82.661, 88.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.910 - 2.000 |
| R-factor | 0.1778 |
| Rwork | 0.175 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pbo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.656 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.158 | 0.067 | 1.159 |
| Rmeas | 0.165 | 0.070 | 1.207 |
| Rpim | 0.046 | 0.020 | 0.334 |
| Total number of observations | 427156 | ||
| Number of reflections | 34157 | 1862 | 1673 |
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 99.8 | 99.1 | 99.8 |
| Redundancy | 12.5 | 11.3 | 12.6 |
| CC(1/2) | 0.998 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG 4000, 0.2 M MGCL2, 0.1 M TRIS pH 8.5 |
