8GPW
Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.400, 103.660, 80.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.540 - 2.060 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjp |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.540 | 2.110 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.146 | 1.319 |
| Number of reflections | 49615 | 3409 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.3 | 92.9 |
| Redundancy | 7 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28% PEG 4000, 0.1 M Tris pH 8.0 |
