7ONW
Crystal structure of PBP3 from E. coli in complex with AIC499
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 106.904, 106.904, 285.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.640 - 2.700 |
| R-factor | 0.2356 |
| Rwork | 0.234 |
| R-free | 0.27070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.672 |
| 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] | 48.640 | 3.034 |
| High resolution limit [Å] | 2.700 | 2.704 |
| Rmeas | 0.101 | 1.211 |
| Number of reflections | 14000 | 700 |
| <I/σ(I)> | 15.4 | 2 |
| Completeness [%] | 92.2 | 76.1 |
| Redundancy | 9.4 | 8.8 |
| CC(1/2) | 0.999 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10 mg/ml PBP3, 3% dextran sulfate (M-5000), 0.1 M sodium cacodylate, 5% PEG 8000, 30% (v/v) MPD. 0.5 mM AIC499 |
