6LQ8
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C22CoA
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 | 2019-10-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9875 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 98.082, 205.723, 74.185 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.650 - 1.850 |
R-factor | 0.155 |
Rwork | 0.153 |
R-free | 0.19500 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | FFT |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.650 | 19.650 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.100 | 0.025 | 0.803 |
Rmeas | 0.104 | 0.026 | 0.833 |
Total number of observations | 1723599 | ||
Number of reflections | 127408 | 1491 | 9249 |
<I/σ(I)> | 21.69 | 72.48 | 3.89 |
Completeness [%] | 99.0 | 91.1 | 98.5 |
Redundancy | 13.528 | 13.025 | 14.075 |
CC(1/2) | 0.999 | 1.000 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 289 | 0.1 M Hepes sodium (pH 7.0), 2% v/v PEG 400, 2 M (NH4)2SO4, 1 mM FAD and 1.2 mM C22CoA |