8K9H
Complex structure of Acetoacetate:butyrate/acetate coenzyme A transferase and Butyrate-acetoacetate CoA-transferase subunit B from Fusobacterium nucleatum ATCC 25586
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 65 |
Unit cell lengths | 166.518, 166.518, 191.377 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.070 - 2.730 |
R-factor | 0.1959 |
Rwork | 0.195 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.034 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.070 | 2.780 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 1.003 | |
Rmeas | 0.247 | |
Number of reflections | 79588 | 7920 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 100.0 | |
Redundancy | 20 | |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 279.15 | Ammonium sulfate,Lithium sulfate,Caps pH 10.5 |