9F8M
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl][4-(propylamino)phenyl]methanone
This is a non-PDB format compatible entry.
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 | 2021-12-20 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.251, 68.392, 83.838 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 48.660 - 1.430 |
| R-factor | 0.1586 |
| Rwork | 0.157 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.901 |
| Data reduction software | XDS (Feb 5, 2021) |
| Data scaling software | Aimless (v0.7.7) |
| Phasing software | PHASER (v2.8.3) |
| Refinement software | PHENIX (v1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.250 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.046 | 0.471 |
| Rmeas | 0.050 | 0.516 |
| Rpim | 0.019 | 0.207 |
| Number of reflections | 143300 | 6657 |
| <I/σ(I)> | 14.2 | 2.1 |
| Completeness [%] | 98.9 | |
| Redundancy | 6.7 | 6 |
| CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28.3% (w/v) PEG monomethyl ether |
