9F8I
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (4-Chlorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]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 | 2023-09-04 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.855, 68.157, 82.807 |
| Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
| Resolution | 19.140 - 1.390 |
| R-factor | 0.1305 |
| Rwork | 0.129 |
| R-free | 0.15600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS (Jun 30, 2023) |
| Data scaling software | Aimless (v0.7.15) |
| Phasing software | PHASER (v2.8.3) |
| Refinement software | PHENIX (v1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.240 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.060 | 0.405 |
| Rmeas | 0.065 | 0.439 |
| Rpim | 0.024 | 0.167 |
| Number of reflections | 152416 | 7496 |
| <I/σ(I)> | 14.3 | 3.1 |
| Completeness [%] | 98.9 | |
| Redundancy | 7 | 6.6 |
| CC(1/2) | 0.999 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 18.3% (w/v) PEG 3350, 0.1 M Bis-TRIS pH 6.56, 0.133 M lithium acetate |
