9F8P
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](4-hydroxyphenyl)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 | 2022-04-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.059, 69.104, 54.144 |
Unit cell angles | 90.00, 100.68, 90.00 |
Refinement procedure
Resolution | 53.120 - 1.360 |
R-factor | 0.1376 |
Rwork | 0.136 |
R-free | 0.16410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.182 |
Data reduction software | XDS (Jan 10, 2022) |
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] | 53.120 | 1.390 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.059 | 0.706 |
Rmeas | 0.064 | 0.763 |
Rpim | 0.024 | 0.288 |
Number of reflections | 82562 | 4182 |
<I/σ(I)> | 14.1 | 2 |
Completeness [%] | 98.9 | |
Redundancy | 6.7 | 6.7 |
CC(1/2) | 0.999 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18.3% (w/v) PEG 3350, 0.1 M MES pH 6.37, 0.278 M ammonium acetate, 6.67% (v/v) glycerol |