7AUH
Structure of P. aeruginosa PBP3 in complex with vaborbactam
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 | 2018-04-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.175, 83.659, 89.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.126 - 2.012 |
| Rwork | 0.208 |
| R-free | 0.28090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hzr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.622 |
| Data reduction software | XDS (Nov 11, 2017) |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.126 | 2.215 |
| High resolution limit [Å] | 2.012 | 2.012 |
| Rmerge | 0.074 | 1.041 |
| Rpim | 0.027 | 0.429 |
| Number of reflections | 25128 | 1257 |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 94.0 | 62.9 |
| Redundancy | 8.5 | 6.7 |
| CC(1/2) | 0.999 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25%(w/v) polyethylene glycol 3350, 0.1M Bis-Tris propane, 1%(w/v) protamine sulphate, pH 8 |
