6R42
Structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.440, 82.640, 88.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.200 - 1.720 |
| R-factor | 0.21061 |
| Rwork | 0.208 |
| R-free | 0.25055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oc2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.002 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.230 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 54141 | 2641 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 11.5 | |
| CC(1/2) | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% (w/v) polyethylene glycol 3 350, 0.1 M Bis-Tris propane pH 7.8 and 1% (w/v) protamine sulphate |
