7ONX
Crystal structure of PBP3 from P. aeruginosa
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 | 2019-05-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.569, 82.205, 91.398 |
| Unit cell angles | 90.00, 116.26, 90.00 |
Refinement procedure
| Resolution | 44.400 - 2.160 |
| R-factor | 0.1834 |
| Rwork | 0.182 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oc2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.579 |
| 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] | 44.400 | 2.340 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmeas | 0.111 | 1.015 |
| Number of reflections | 26404 | 1320 |
| <I/σ(I)> | 7.9 | 1.4 |
| Completeness [%] | 91.4 | 57.8 |
| Redundancy | 3.4 | 3 |
| CC(1/2) | 0.996 | 0.471 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 8 mg/ml PBP3, 0.1 M sodium sulfate, 24% (w/v) Polyvinylpyrrolidone |
